6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-piperidin-3-yl]-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3R)-piperidin-3-yl]-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(oxan-4-yl)-3-propan-2-ylimidazo[4,5-c]quinolin-2-one;1-[4,5-dimethyl-2-[[(2S)-4-propan-2-ylmorpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;3-[3-[4-(3-methylbutyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

C112H142Br2N28O9S — CID 157350255

IUPAC6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-piperidin-3-yl]-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3R)-piperidin-3-yl]-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(oxan-4-yl)-3-propan-2-ylimidazo[4,5-c]quinolin-2-one;1-[4,5-dimethyl-2-[[(2S)-4-propan-2-ylmorpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;3-[3-[4-(3-methylbutyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
SMILESCC(C)CCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1.CC(C)Nc1c(Br)c([C@@H]2CCCNC2)nc2c(-c3cnn(C)c3)cnn12.CC(C)n1c(=O)n(C2CCOCC2)c2c3cc(-c4ccc(OCCCN(C)C)nc4)ccc3ncc21.CC(C)n1cc(-c2cnn3c(N)c(Br)c([C@@H]4CCCNC4)nc23)cn1.Cc1cnc(NC(=O)Nc2cc(C)c(C)cc2OC[C@@H]2CN(C(C)C)CCO2)cn1
InChIInChI=1S/C28H35N5O3.C27H30N4O3S.C22H31N5O3.C18H24BrN7.C17H22BrN7/c1-19(2)32-25-18-29-24-8-6-20(21-7-9-26(30-17-21)36-13-5-12-31(3)4)16-23(24)27(25)33(28(32)34)22-10-14-35-15-11-22;1-17(2)5-6-19-7-9-20(10-8-19)23-15-25(34-31-23)26-27(28)29-16-24(30-26)21-11-13-22(14-12-21)35(32,33)18(3)4;1-14(2)27-6-7-29-18(12-27)13-30-20-9-16(4)15(3)8-19(20)25-22(28)26-21-11-23-17(5)10-24-21;1-11(2)23-18-15(19)16(12-5-4-6-20-7-12)24-17-14(9-22-26(17)18)13-8-21-25(3)10-13;1-10(2)24-9-12(7-21-24)13-8-22-25-16(19)14(18)15(23-17(13)25)11-4-3-5-20-6-11/h6-9,16-19,22H,5,10-15H2,1-4H3;7-18H,5-6H2,1-4H3,(H2,28,29);8-11,14,18H,6-7,12-13H2,1-5H3,(H2,24,25,26,28);8-12,20,23H,4-7H2,1-3H3;7-11,20H,3-6,19H2,1-2H3/t;;18-;12-;11-/m..011/s1
InChIKeyBHLFDXUPQRYGTE-DWUCKHDUSA-N
MW2216.43 g/mol
LogP20.19
Rot. Bonds29

About 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-piperidin-3-yl]-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3R)-piperidin-3-yl]-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(oxan-4-yl)-3-propan-2-ylimidazo[4,5-c]quinolin-2-one;1-[4,5-dimethyl-2-[[(2S)-4-propan-2-ylmorpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;3-[3-[4-(3-methylbutyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-piperidin-3-yl]-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3R)-piperidin-3-yl]-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(oxan-4-yl)-3-propan-2-ylimidazo[4,5-c]quinolin-2-one;1-[4,5-dimethyl-2-[[(2S)-4-propan-2-ylmorpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;3-[3-[4-(3-methylbutyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (PubChem CID 157350255) has the molecular formula C112H142Br2N28O9S and a molecular weight of 2216.43 g/mol. Its IUPAC name is 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-piperidin-3-yl]-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3R)-piperidin-3-yl]-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(oxan-4-yl)-3-propan-2-ylimidazo[4,5-c]quinolin-2-one;1-[4,5-dimethyl-2-[[(2S)-4-propan-2-ylmorpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;3-[3-[4-(3-methylbutyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-piperidin-3-yl]-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3R)-piperidin-3-yl]-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(oxan-4-yl)-3-propan-2-ylimidazo[4,5-c]quinolin-2-one;1-[4,5-dimethyl-2-[[(2S)-4-propan-2-ylmorpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;3-[3-[4-(3-methylbutyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
PubChem CID157350255
Molecular FormulaC112H142Br2N28O9S
Molecular Weight2216.43 g/mol
Exact Mass2212.96
IUPAC Name6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-piperidin-3-yl]-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3R)-piperidin-3-yl]-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(oxan-4-yl)-3-propan-2-ylimidazo[4,5-c]quinolin-2-one;1-[4,5-dimethyl-2-[[(2S)-4-propan-2-ylmorpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;3-[3-[4-(3-methylbutyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
SMILESCC(C)CCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1.CC(C)Nc1c(Br)c([C@@H]2CCCNC2)nc2c(-c3cnn(C)c3)cnn12.CC(C)n1c(=O)n(C2CCOCC2)c2c3cc(-c4ccc(OCCCN(C)C)nc4)ccc3ncc21.CC(C)n1cc(-c2cnn3c(N)c(Br)c([C@@H]4CCCNC4)nc23)cn1.Cc1cnc(NC(=O)Nc2cc(C)c(C)cc2OC[C@@H]2CN(C(C)C)CCO2)cn1
InChIInChI=1S/C28H35N5O3.C27H30N4O3S.C22H31N5O3.C18H24BrN7.C17H22BrN7/c1-19(2)32-25-18-29-24-8-6-20(21-7-9-26(30-17-21)36-13-5-12-31(3)4)16-23(24)27(25)33(28(32)34)22-10-14-35-15-11-22;1-17(2)5-6-19-7-9-20(10-8-19)23-15-25(34-31-23)26-27(28)29-16-24(30-26)21-11-13-22(14-12-21)35(32,33)18(3)4;1-14(2)27-6-7-29-18(12-27)13-30-20-9-16(4)15(3)8-19(20)25-22(28)26-21-11-23-17(5)10-24-21;1-11(2)23-18-15(19)16(12-5-4-6-20-7-12)24-17-14(9-22-26(17)18)13-8-21-25(3)10-13;1-10(2)24-9-12(7-21-24)13-8-22-25-16(19)14(18)15(23-17(13)25)11-4-3-5-20-6-11/h6-9,16-19,22H,5,10-15H2,1-4H3;7-18H,5-6H2,1-4H3,(H2,28,29);8-11,14,18H,6-7,12-13H2,1-5H3,(H2,24,25,26,28);8-12,20,23H,4-7H2,1-3H3;7-11,20H,3-6,19H2,1-2H3/t;;18-;12-;11-/m..011/s1
InChIKeyBHLFDXUPQRYGTE-DWUCKHDUSA-N
XLogP20.19
TPSA433.12 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds29
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002216.43
LogP ≤ 520.19
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-piperidin-3-yl]-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3R)-piperidin-3-yl]-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(oxan-4-yl)-3-propan-2-ylimidazo[4,5-c]quinolin-2-one;1-[4,5-dimethyl-2-[[(2S)-4-propan-2-ylmorpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;3-[3-[4-(3-methylbutyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;1-(6-tert-butyl-2-pyridinyl)-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one;5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methyl-methylidene-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxo-lambda6-sulfane;5-(4-propan-2-ylsulfonylphenyl)-3-[3-(4-propylphenyl)-1,2-oxazol-5-yl]pyrazin-2-amine
CID 157688847
6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3S)-piperidin-3-yl]-N-propan-2-ylpyrazolo[1,5-a]pyridin-7-amine;6-bromo-5-[(3S)-piperidin-3-yl]-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-7-amine;1-[4,5-dimethyl-2-[[(2S)-4-propan-2-ylmorpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;3-[3-[4-(3-methylbutyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;N-propan-2-yl-5-(4-propan-2-ylsulfonylphenyl)-3-[3-(4-propylphenyl)-1,2-oxazol-5-yl]pyrazin-2-amine
CID 158765846
3-[3-[4-[7-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]heptyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;1-[4-[5-[3-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]hexyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]-N-methylmethanamine;8-[5-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]pentyl]-5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7H-pyrazino[2,3-b]pyrazin-6-one;(1R,3R)-1-[4-[5-[3-[5-(5-ethyl-6-methylidene-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl)-6-methyl-2-pyridinyl]-1,2,4-triazol-1-yl]pentoxy]-2,6-difluorophenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 158788331
6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;1-(6-tert-butyl-2-pyridinyl)-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one;5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methane;methyl-methylidene-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxo-lambda6-sulfane;5-(4-propan-2-ylsulfonylphenyl)-3-[3-(4-propylphenyl)-1,2-oxazol-5-yl]pyrazin-2-amine
CID 159425673
(2S)-2-amino-3-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]propanoic acid;2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[2-methoxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;2-N-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;N-(4-piperidin-4-ylphenyl)-4-(3-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-amine
CID 159521552
1-(6-Tert-butyl-2-pyridinyl)-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one;methane;5-(4-propan-2-ylsulfonylphenyl)-3-[3-(4-propylphenyl)-1,2-oxazol-5-yl]pyrazin-2-amine
CID 161668186
2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[2-methoxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;2-N-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 162088708
3-(1-Benzothiophen-3-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(2,1-benzoxazol-5-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-bromo-1-benzothiophen-3-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 162141932

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-piperidin-3-yl]-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3R)-piperidin-3-yl]-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(oxan-4-yl)-3-propan-2-ylimidazo[4,5-c]quinolin-2-one;1-[4,5-dimethyl-2-[[(2S)-4-propan-2-ylmorpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;3-[3-[4-(3-methylbutyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-piperidin-3-yl]-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3R)-piperidin-3-yl]-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(oxan-4-yl)-3-propan-2-ylimidazo[4,5-c]quinolin-2-one;1-[4,5-dimethyl-2-[[(2S)-4-propan-2-ylmorpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;3-[3-[4-(3-methylbutyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (CID 157350255) is 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-piperidin-3-yl]-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3R)-piperidin-3-yl]-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(oxan-4-yl)-3-propan-2-ylimidazo[4,5-c]quinolin-2-one;1-[4,5-dimethyl-2-[[(2S)-4-propan-2-ylmorpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;3-[3-[4-(3-methylbutyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-piperidin-3-yl]-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3R)-piperidin-3-yl]-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(oxan-4-yl)-3-propan-2-ylimidazo[4,5-c]quinolin-2-one;1-[4,5-dimethyl-2-[[(2S)-4-propan-2-ylmorpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;3-[3-[4-(3-methylbutyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-piperidin-3-yl]-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3R)-piperidin-3-yl]-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(oxan-4-yl)-3-propan-2-ylimidazo[4,5-c]quinolin-2-one;1-[4,5-dimethyl-2-[[(2S)-4-propan-2-ylmorpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;3-[3-[4-(3-methylbutyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is CC(C)CCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1.CC(C)Nc1c(Br)c([C@@H]2CCCNC2)nc2c(-c3cnn(C)c3)cnn12.CC(C)n1c(=O)n(C2CCOCC2)c2c3cc(-c4ccc(OCCCN(C)C)nc4)ccc3ncc21.CC(C)n1cc(-c2cnn3c(N)c(Br)c([C@@H]4CCCNC4)nc23)cn1.Cc1cnc(NC(=O)Nc2cc(C)c(C)cc2OC[C@@H]2CN(C(C)C)CCO2)cn1.
What is the InChIKey of 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-piperidin-3-yl]-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3R)-piperidin-3-yl]-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(oxan-4-yl)-3-propan-2-ylimidazo[4,5-c]quinolin-2-one;1-[4,5-dimethyl-2-[[(2S)-4-propan-2-ylmorpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;3-[3-[4-(3-methylbutyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is BHLFDXUPQRYGTE-DWUCKHDUSA-N. The full InChI is InChI=1S/C28H35N5O3.C27H30N4O3S.C22H31N5O3.C18H24BrN7.C17H22BrN7/c1-19(2)32-25-18-29-24-8-6-20(21-7-9-26(30-17-21)36-13-5-12-31(3)4)16-23(24)27(25)33(28(32)34)22-10-14-35-15-11-22;1-17(2)5-6-19-7-9-20(10-8-19)23-15-25(34-31-23)26-27(28)29-16-24(30-26)21-11-13-22(14-12-21)35(32,33)18(3)4;1-14(2)27-6-7-29-18(12-27)13-30-20-9-16(4)15(3)8-19(20)25-22(28)26-21-11-23-17(5)10-24-21;1-11(2)23-18-15(19)16(12-5-4-6-20-7-12)24-17-14(9-22-26(17)18)13-8-21-25(3)10-13;1-10(2)24-9-12(7-21-24)13-8-22-25-16(19)14(18)15(23-17(13)25)11-4-3-5-20-6-11/h6-9,16-19,22H,5,10-15H2,1-4H3;7-18H,5-6H2,1-4H3,(H2,28,29);8-11,14,18H,6-7,12-13H2,1-5H3,(H2,24,25,26,28);8-12,20,23H,4-7H2,1-3H3;7-11,20H,3-6,19H2,1-2H3/t;;18-;12-;11-/m..011/s1.
What are the key properties of 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-piperidin-3-yl]-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3R)-piperidin-3-yl]-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(oxan-4-yl)-3-propan-2-ylimidazo[4,5-c]quinolin-2-one;1-[4,5-dimethyl-2-[[(2S)-4-propan-2-ylmorpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;3-[3-[4-(3-methylbutyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-piperidin-3-yl]-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3R)-piperidin-3-yl]-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(oxan-4-yl)-3-propan-2-ylimidazo[4,5-c]quinolin-2-one;1-[4,5-dimethyl-2-[[(2S)-4-propan-2-ylmorpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;3-[3-[4-(3-methylbutyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 2216.43 g/mol, XLogP of 20.19, 29 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-piperidin-3-yl]-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3R)-piperidin-3-yl]-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(oxan-4-yl)-3-propan-2-ylimidazo[4,5-c]quinolin-2-one;1-[4,5-dimethyl-2-[[(2S)-4-propan-2-ylmorpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;3-[3-[4-(3-methylbutyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 157350255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).