3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-4,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-[1,2]oxazolo[4,5-c]pyridine;2-methyl-2-[3-[[4,5,6-trimethyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile

C79H63F2N13O5 — CID 159424414

IUPAC3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-4,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-[1,2]oxazolo[4,5-c]pyridine;2-methyl-2-[3-[[4,5,6-trimethyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile
SMILESCOc1cccc(Cc2noc3c(C#Cc4ccc5[nH]ncc5c4)c(C)ncc23)c1.Cc1c(C)c(C)c2c(Cc3cccc(C(C)(C)C#N)c3)noc2c1C#Cc1ccc2[nH]ncc2n1.Cc1nc(C)c2c(Cc3cccc(OC(C)(F)F)c3)noc2c1C#Cc1ccc2cn[nH]c2c1
InChIInChI=1S/C29H25N5O.C26H20F2N4O2.C24H18N4O2/c1-17-18(2)23(11-9-22-10-12-24-26(32-22)15-31-33-24)28-27(19(17)3)25(34-35-28)14-20-7-6-8-21(13-20)29(4,5)16-30;1-15-21(10-8-17-7-9-19-14-29-31-22(19)12-17)25-24(16(2)30-15)23(32-34-25)13-18-5-4-6-20(11-18)33-26(3,27)28;1-15-20(8-6-16-7-9-22-18(10-16)13-26-27-22)24-21(14-25-15)23(28-30-24)12-17-4-3-5-19(11-17)29-2/h6-8,10,12-13,15H,14H2,1-5H3,(H,31,33);4-7,9,11-12,14H,13H2,1-3H3,(H,29,31);3-5,7,9-11,13-14H,12H2,1-2H3,(H,26,27)
InChIKeyLQEAYUCXNZXXEJ-UHFFFAOYSA-N
MW1312.45 g/mol
LogP15.92
Rot. Bonds10

About 3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-4,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-[1,2]oxazolo[4,5-c]pyridine;2-methyl-2-[3-[[4,5,6-trimethyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile

3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-4,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-[1,2]oxazolo[4,5-c]pyridine;2-methyl-2-[3-[[4,5,6-trimethyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile (PubChem CID 159424414) has the molecular formula C79H63F2N13O5 and a molecular weight of 1312.45 g/mol. Its IUPAC name is 3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-4,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-[1,2]oxazolo[4,5-c]pyridine;2-methyl-2-[3-[[4,5,6-trimethyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile.

Molecular Properties

Compound Name3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-4,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-[1,2]oxazolo[4,5-c]pyridine;2-methyl-2-[3-[[4,5,6-trimethyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile
PubChem CID159424414
Molecular FormulaC79H63F2N13O5
Molecular Weight1312.45 g/mol
Exact Mass1311.50
IUPAC Name3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-4,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-[1,2]oxazolo[4,5-c]pyridine;2-methyl-2-[3-[[4,5,6-trimethyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile
SMILESCOc1cccc(Cc2noc3c(C#Cc4ccc5[nH]ncc5c4)c(C)ncc23)c1.Cc1c(C)c(C)c2c(Cc3cccc(C(C)(C)C#N)c3)noc2c1C#Cc1ccc2[nH]ncc2n1.Cc1nc(C)c2c(Cc3cccc(OC(C)(F)F)c3)noc2c1C#Cc1ccc2cn[nH]c2c1
InChIInChI=1S/C29H25N5O.C26H20F2N4O2.C24H18N4O2/c1-17-18(2)23(11-9-22-10-12-24-26(32-22)15-31-33-24)28-27(19(17)3)25(34-35-28)14-20-7-6-8-21(13-20)29(4,5)16-30;1-15-21(10-8-17-7-9-19-14-29-31-22(19)12-17)25-24(16(2)30-15)23(32-34-25)13-18-5-4-6-20(11-18)33-26(3,27)28;1-15-20(8-6-16-7-9-22-18(10-16)13-26-27-22)24-21(14-25-15)23(28-30-24)12-17-4-3-5-19(11-17)29-2/h6-8,10,12-13,15H,14H2,1-5H3,(H,31,33);4-7,9,11-12,14H,13H2,1-3H3,(H,29,31);3-5,7,9-11,13-14H,12H2,1-2H3,(H,26,27)
InChIKeyLQEAYUCXNZXXEJ-UHFFFAOYSA-N
XLogP15.92
TPSA245.05 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001312.45
LogP ≤ 515.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-4,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-[1,2]oxazolo[4,5-c]pyridine;2-methyl-2-[3-[[4,5,6-trimethyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile with MolForge

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Related Compounds

3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-6-methyl-1,2-benzoxazole;3-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-methyl-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-1,2-benzoxazole;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-1,2-benzoxazole;2-methyl-2-[3-[[6-methyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile
CID 157372870
3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-6-methyl-1,2-benzoxazole;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-1,2-benzoxazole;2-methyl-2-[3-[[6-methyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile
CID 161991341
cumene;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylnaphthalene;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 158304437
4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(4-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-5-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(4-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyridin-4-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 159889928
4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(4-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-5-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-propan-2-yl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyridin-4-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 160498883
1-Tert-butyl-6-(difluoromethyl)-2-methyl-5-(1-methylpyrazol-4-yl)indole;1-tert-butyl-6-(4-methoxyphenyl)indole;4-(3-tert-butylphenyl)-1-methylpyrazole;3-[2-(3-tert-butylphenyl)-2-oxoethyl]benzonitrile;2,2-dimethyl-1-[4-(1-methylpyrazol-4-yl)phenyl]propan-1-one;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylindole-6-carbonitrile;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine
CID 160663489
(E)-3-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-1H-indol-2-yl]-N,N-dimethylprop-2-enamide;5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[6-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(2-methylpyrazol-3-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile
CID 161002859
4-(3-Tert-butylphenyl)-1-methylpyrazole;3-[2-(3-tert-butylphenyl)-2-oxoethyl]benzonitrile;6-(difluoromethyl)-2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylindole;2,2-dimethyl-1-[4-(1-methylpyrazol-4-yl)phenyl]propan-1-one;6-(4-methoxyphenyl)-1-propan-2-ylindole;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylindole-6-carbonitrile;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine
CID 161427915
1,3-dimethyl-5-propan-2-ylindazole;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;methyl 4-methyl-3-propan-2-ylbenzoate;N-methyl-3-propan-2-ylbenzamide;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;3-methyl-5-propan-2-yl-2H-indazole;1-(4-methyl-3-propan-2-ylphenyl)ethanone;3-propan-2-ylbenzamide;5-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1H-indazole;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)propan-1-one;1-(5-propan-2-yl-3-pyridinyl)ethanone
CID 161436049
4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(4-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(1H-indol-5-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyridin-4-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 161497156
3-tert-butyl-6-chloro-2H-indazole;3-tert-butyl-7-chloro-2H-indazole;3-tert-butyl-5,6-difluoro-2H-indazole;3-tert-butyl-7-fluoro-2H-indazole;3-tert-butyl-2H-indazole-6-carbonitrile;3-tert-butyl-6-methoxy-2H-indazole;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;1-ethyl-6-fluoro-3-propan-2-ylindazole;5-fluoro-1,3-di(propan-2-yl)indazole;6-fluoro-1,3-di(propan-2-yl)indazole;6-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;5-methoxy-3-propan-2-yl-2H-indazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole-5-carbonitrile;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine
CID 162057855
(E)-3-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-1H-indol-2-yl]-N,N-dimethylprop-2-enamide;5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[6-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;methane;5-[2-(2-methylpyrazol-3-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile
CID 162211562

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-4,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-[1,2]oxazolo[4,5-c]pyridine;2-methyl-2-[3-[[4,5,6-trimethyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile?
The IUPAC name of 3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-4,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-[1,2]oxazolo[4,5-c]pyridine;2-methyl-2-[3-[[4,5,6-trimethyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile (CID 159424414) is 3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-4,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-[1,2]oxazolo[4,5-c]pyridine;2-methyl-2-[3-[[4,5,6-trimethyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile.
What is the SMILES notation for 3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-4,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-[1,2]oxazolo[4,5-c]pyridine;2-methyl-2-[3-[[4,5,6-trimethyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile?
The canonical SMILES for 3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-4,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-[1,2]oxazolo[4,5-c]pyridine;2-methyl-2-[3-[[4,5,6-trimethyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile is COc1cccc(Cc2noc3c(C#Cc4ccc5[nH]ncc5c4)c(C)ncc23)c1.Cc1c(C)c(C)c2c(Cc3cccc(C(C)(C)C#N)c3)noc2c1C#Cc1ccc2[nH]ncc2n1.Cc1nc(C)c2c(Cc3cccc(OC(C)(F)F)c3)noc2c1C#Cc1ccc2cn[nH]c2c1.
What is the InChIKey of 3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-4,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-[1,2]oxazolo[4,5-c]pyridine;2-methyl-2-[3-[[4,5,6-trimethyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile?
The InChIKey is LQEAYUCXNZXXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O.C26H20F2N4O2.C24H18N4O2/c1-17-18(2)23(11-9-22-10-12-24-26(32-22)15-31-33-24)28-27(19(17)3)25(34-35-28)14-20-7-6-8-21(13-20)29(4,5)16-30;1-15-21(10-8-17-7-9-19-14-29-31-22(19)12-17)25-24(16(2)30-15)23(32-34-25)13-18-5-4-6-20(11-18)33-26(3,27)28;1-15-20(8-6-16-7-9-22-18(10-16)13-26-27-22)24-21(14-25-15)23(28-30-24)12-17-4-3-5-19(11-17)29-2/h6-8,10,12-13,15H,14H2,1-5H3,(H,31,33);4-7,9,11-12,14H,13H2,1-3H3,(H,29,31);3-5,7,9-11,13-14H,12H2,1-2H3,(H,26,27).
What are the key properties of 3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-4,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-[1,2]oxazolo[4,5-c]pyridine;2-methyl-2-[3-[[4,5,6-trimethyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile?
3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-4,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-[1,2]oxazolo[4,5-c]pyridine;2-methyl-2-[3-[[4,5,6-trimethyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile has a molecular weight of 1312.45 g/mol, XLogP of 15.92, 10 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-4,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-[1,2]oxazolo[4,5-c]pyridine;2-methyl-2-[3-[[4,5,6-trimethyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile is sourced from PubChem (CID 159424414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).