(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-ethyl-8-pyrimidin-5-yl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(2-fluoropropyl)-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-9-pyridin-3-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide

C143H121Cl6F13N28O17 — CID 158090936

IUPAC(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-ethyl-8-pyrimidin-5-yl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(2-fluoropropyl)-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-9-pyridin-3-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
SMILESCC(C)n1c([C@H](C)O)nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cccnc3)c21.CC(C)n1c([C@H](C)O)nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cccnn3)c21.CC(F)Cn1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cccnn3)c21.CC[C@@H]1COc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4cncnc4)c3n21.C[C@@H]1COCc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4cc(C5CC5)[nH]n4)c3n21.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2cccnc2)c2c(c1)nc1n2CCC[C@H]1O
InChIInChI=1S/C25H22ClF2N5O3.C25H23ClF2N4O3.C24H22ClF2N5O3.C24H19ClF2N4O3.C23H18ClF2N5O3.C22H17ClF3N5O2/c1-13-11-35-12-22-30-21-9-15(24(34)29-16-4-6-17(7-5-16)36-25(26,27)28)8-18(23(21)33(13)22)20-10-19(31-32-20)14-2-3-14;1-14(2)32-22-20(16-5-4-10-29-13-16)11-17(12-21(22)31-23(32)15(3)33)24(34)30-18-6-8-19(9-7-18)35-25(26,27)28;1-13(2)32-21-18(19-5-4-10-28-31-19)11-15(12-20(21)30-22(32)14(3)33)23(34)29-16-6-8-17(9-7-16)35-24(25,26)27;25-24(26,27)34-17-7-5-16(6-8-17)29-23(33)15-11-18(14-3-1-9-28-13-14)21-19(12-15)30-22-20(32)4-2-10-31(21)22;1-2-16-11-33-22-30-19-8-13(7-18(20(19)31(16)22)14-9-27-12-28-10-14)21(32)29-15-3-5-17(6-4-15)34-23(24,25)26;1-13(24)11-31-12-27-19-10-14(9-17(20(19)31)18-3-2-8-28-30-18)21(32)29-15-4-6-16(7-5-15)33-22(23,25)26/h4-10,13-14H,2-3,11-12H2,1H3,(H,29,34)(H,31,32);4-15,33H,1-3H3,(H,30,34);4-14,33H,1-3H3,(H,29,34);1,3,5-9,11-13,20,32H,2,4,10H2,(H,29,33);3-10,12,16H,2,11H2,1H3,(H,29,32);2-10,12-13H,11H2,1H3,(H,29,32)/t13-;15-;14-;20-;16-;/m10011./s1
InChIKeyFOBYZLAJYMYRFO-NCOHBUDRSA-N
MW2963.41 g/mol
LogP33.39
Rot. Bonds38

About (4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-ethyl-8-pyrimidin-5-yl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(2-fluoropropyl)-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-9-pyridin-3-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide

(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-ethyl-8-pyrimidin-5-yl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(2-fluoropropyl)-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-9-pyridin-3-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide (PubChem CID 158090936) has the molecular formula C143H121Cl6F13N28O17 and a molecular weight of 2963.41 g/mol. Its IUPAC name is (4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-ethyl-8-pyrimidin-5-yl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(2-fluoropropyl)-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-9-pyridin-3-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide.

Molecular Properties

Compound Name(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-ethyl-8-pyrimidin-5-yl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(2-fluoropropyl)-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-9-pyridin-3-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
PubChem CID158090936
Molecular FormulaC143H121Cl6F13N28O17
Molecular Weight2963.41 g/mol
Exact Mass2958.74
IUPAC Name(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-ethyl-8-pyrimidin-5-yl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(2-fluoropropyl)-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-9-pyridin-3-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
SMILESCC(C)n1c([C@H](C)O)nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cccnc3)c21.CC(C)n1c([C@H](C)O)nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cccnn3)c21.CC(F)Cn1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cccnn3)c21.CC[C@@H]1COc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4cncnc4)c3n21.C[C@@H]1COCc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4cc(C5CC5)[nH]n4)c3n21.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2cccnc2)c2c(c1)nc1n2CCC[C@H]1O
InChIInChI=1S/C25H22ClF2N5O3.C25H23ClF2N4O3.C24H22ClF2N5O3.C24H19ClF2N4O3.C23H18ClF2N5O3.C22H17ClF3N5O2/c1-13-11-35-12-22-30-21-9-15(24(34)29-16-4-6-17(7-5-16)36-25(26,27)28)8-18(23(21)33(13)22)20-10-19(31-32-20)14-2-3-14;1-14(2)32-22-20(16-5-4-10-29-13-16)11-17(12-21(22)31-23(32)15(3)33)24(34)30-18-6-8-19(9-7-18)35-25(26,27)28;1-13(2)32-21-18(19-5-4-10-28-31-19)11-15(12-20(21)30-22(32)14(3)33)23(34)29-16-6-8-17(9-7-16)35-24(25,26)27;25-24(26,27)34-17-7-5-16(6-8-17)29-23(33)15-11-18(14-3-1-9-28-13-14)21-19(12-15)30-22-20(32)4-2-10-31(21)22;1-2-16-11-33-22-30-19-8-13(7-18(20(19)31(16)22)14-9-27-12-28-10-14)21(32)29-15-3-5-17(6-4-15)34-23(24,25)26;1-13(24)11-31-12-27-19-10-14(9-17(20(19)31)18-3-2-8-28-30-18)21(32)29-15-4-6-16(7-5-15)33-22(23,25)26/h4-10,13-14H,2-3,11-12H2,1H3,(H,29,34)(H,31,32);4-15,33H,1-3H3,(H,30,34);4-14,33H,1-3H3,(H,29,34);1,3,5-9,11-13,20,32H,2,4,10H2,(H,29,33);3-10,12,16H,2,11H2,1H3,(H,29,32);2-10,12-13H,11H2,1H3,(H,29,32)/t13-;15-;14-;20-;16-;/m10011./s1
InChIKeyFOBYZLAJYMYRFO-NCOHBUDRSA-N
XLogP33.39
TPSA547.85 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds38
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002963.41
LogP ≤ 533.39
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-ethyl-8-pyrimidin-5-yl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(2-fluoropropyl)-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-9-pyridin-3-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide with MolForge

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Related Compounds

US10889571, Example 34
CID 146458727
US10889571, Example 220
CID 146509076
US20240101536, Example 47
CID 146458675
(1R,4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-1-methyl-9-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
CID 146458660
(1R,4S)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-1-methyl-9-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
CID 146507881
N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-1-methyl-9-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
CID 155761929
N-[4-[chloro(difluoro)methoxy]phenyl]-4-(hydroxymethyl)-6-(1H-pyrazol-5-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide
CID 155761932
N-[4-[chloro(difluoro)methoxy]phenyl]-2-(hydroxymethyl)-1-methyl-8-(1H-pyrazol-5-yl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide
CID 155761933
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157061672
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-lambda6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157076556
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide
CID 157102765
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157110041

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-ethyl-8-pyrimidin-5-yl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(2-fluoropropyl)-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-9-pyridin-3-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?
The IUPAC name of (4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-ethyl-8-pyrimidin-5-yl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(2-fluoropropyl)-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-9-pyridin-3-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide (CID 158090936) is (4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-ethyl-8-pyrimidin-5-yl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(2-fluoropropyl)-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-9-pyridin-3-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide.
What is the SMILES notation for (4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-ethyl-8-pyrimidin-5-yl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(2-fluoropropyl)-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-9-pyridin-3-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?
The canonical SMILES for (4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-ethyl-8-pyrimidin-5-yl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(2-fluoropropyl)-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-9-pyridin-3-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide is CC(C)n1c([C@H](C)O)nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cccnc3)c21.CC(C)n1c([C@H](C)O)nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cccnn3)c21.CC(F)Cn1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cccnn3)c21.CC[C@@H]1COc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4cncnc4)c3n21.C[C@@H]1COCc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4cc(C5CC5)[nH]n4)c3n21.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2cccnc2)c2c(c1)nc1n2CCC[C@H]1O.
What is the InChIKey of (4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-ethyl-8-pyrimidin-5-yl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(2-fluoropropyl)-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-9-pyridin-3-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?
The InChIKey is FOBYZLAJYMYRFO-NCOHBUDRSA-N. The full InChI is InChI=1S/C25H22ClF2N5O3.C25H23ClF2N4O3.C24H22ClF2N5O3.C24H19ClF2N4O3.C23H18ClF2N5O3.C22H17ClF3N5O2/c1-13-11-35-12-22-30-21-9-15(24(34)29-16-4-6-17(7-5-16)36-25(26,27)28)8-18(23(21)33(13)22)20-10-19(31-32-20)14-2-3-14;1-14(2)32-22-20(16-5-4-10-29-13-16)11-17(12-21(22)31-23(32)15(3)33)24(34)30-18-6-8-19(9-7-18)35-25(26,27)28;1-13(2)32-21-18(19-5-4-10-28-31-19)11-15(12-20(21)30-22(32)14(3)33)23(34)29-16-6-8-17(9-7-16)35-24(25,26)27;25-24(26,27)34-17-7-5-16(6-8-17)29-23(33)15-11-18(14-3-1-9-28-13-14)21-19(12-15)30-22-20(32)4-2-10-31(21)22;1-2-16-11-33-22-30-19-8-13(7-18(20(19)31(16)22)14-9-27-12-28-10-14)21(32)29-15-3-5-17(6-4-15)34-23(24,25)26;1-13(24)11-31-12-27-19-10-14(9-17(20(19)31)18-3-2-8-28-30-18)21(32)29-15-4-6-16(7-5-15)33-22(23,25)26/h4-10,13-14H,2-3,11-12H2,1H3,(H,29,34)(H,31,32);4-15,33H,1-3H3,(H,30,34);4-14,33H,1-3H3,(H,29,34);1,3,5-9,11-13,20,32H,2,4,10H2,(H,29,33);3-10,12,16H,2,11H2,1H3,(H,29,32);2-10,12-13H,11H2,1H3,(H,29,32)/t13-;15-;14-;20-;16-;/m10011./s1.
What are the key properties of (4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-ethyl-8-pyrimidin-5-yl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(2-fluoropropyl)-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-9-pyridin-3-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?
(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-ethyl-8-pyrimidin-5-yl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(2-fluoropropyl)-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-9-pyridin-3-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide has a molecular weight of 2963.41 g/mol, XLogP of 33.39, 38 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-ethyl-8-pyrimidin-5-yl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(2-fluoropropyl)-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridazin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(1S)-1-hydroxyethyl]-1-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-9-pyridin-3-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide is sourced from PubChem (CID 158090936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).