1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;3,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;4-methyl-7-(4-propan-2-yl-2-pyridinyl)-1,4-benzoxazin-3-one;6-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-(4-propan-2-yl-2-pyridinyl)indazol-3-amine;8-propan-2-yl-4H-1,4-benzoxazin-3-one

C144H162F2N24O4 — CID 157378330

IUPAC1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;3,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;4-methyl-7-(4-propan-2-yl-2-pyridinyl)-1,4-benzoxazin-3-one;6-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-(4-propan-2-yl-2-pyridinyl)indazol-3-amine;8-propan-2-yl-4H-1,4-benzoxazin-3-one
SMILESCC(C)c1cccc2c1OCC(=O)N2.CC(C)c1cccc2c1cnn2C.CC(C)c1cccc2nn(C)cc12.CC(C)c1ccnc(-c2ccc3c(c2)OCC(=O)N3C)c1.CC(C)c1ccnc(-c2ccc3c(c2)c(N)nn3C)c1.CC(C)c1ccnc(-c2cn(C)c3ncc(F)cc23)c1.CC(C)c1cn(C)c2ncc(F)cc12.CC1=Cc2cc(-c3cc(C(C)C)ccn3)cnc2C1.Cc1cn(C)c2ncc(-c3cc(C(C)C)ccn3)cc12.Cc1cnc2n(C)cc(-c3cc(C(C)C)ccn3)cc1-2
InChIInChI=1S/2C17H19N3.C17H18N2O2.C17H18N2.C16H16FN3.C16H18N4.C11H13FN2.2C11H14N2.C11H13NO2/c1-11(2)13-5-6-18-16(8-13)14-7-15-12(3)10-20(4)17(15)19-9-14;1-11(2)13-5-6-18-16(8-13)14-7-15-12(3)9-19-17(15)20(4)10-14;1-11(2)12-6-7-18-14(8-12)13-4-5-15-16(9-13)21-10-17(20)19(15)3;1-11(2)13-4-5-18-17(9-13)15-8-14-6-12(3)7-16(14)19-10-15;1-10(2)11-4-5-18-15(6-11)14-9-20(3)16-13(14)7-12(17)8-19-16;1-10(2)11-6-7-18-14(9-11)12-4-5-15-13(8-12)16(17)19-20(15)3;1-7(2)10-6-14(3)11-9(10)4-8(12)5-13-11;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-8(2)9-5-4-6-11-10(9)7-12-13(11)3;1-7(2)8-4-3-5-9-11(8)14-6-10(13)12-9/h2*5-11H,1-4H3;4-9,11H,10H2,1-3H3;4-6,8-11H,7H2,1-3H3;4-10H,1-3H3;4-10H,1-3H3,(H2,17,19);4-7H,1-3H3;2*4-8H,1-3H3;3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyBKORMRDPEOCAGG-UHFFFAOYSA-N
MW2331.04 g/mol
LogP33.15
Rot. Bonds16

About 1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;3,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;4-methyl-7-(4-propan-2-yl-2-pyridinyl)-1,4-benzoxazin-3-one;6-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-(4-propan-2-yl-2-pyridinyl)indazol-3-amine;8-propan-2-yl-4H-1,4-benzoxazin-3-one

1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;3,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;4-methyl-7-(4-propan-2-yl-2-pyridinyl)-1,4-benzoxazin-3-one;6-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-(4-propan-2-yl-2-pyridinyl)indazol-3-amine;8-propan-2-yl-4H-1,4-benzoxazin-3-one (PubChem CID 157378330) has the molecular formula C144H162F2N24O4 and a molecular weight of 2331.04 g/mol. Its IUPAC name is 1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;3,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;4-methyl-7-(4-propan-2-yl-2-pyridinyl)-1,4-benzoxazin-3-one;6-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-(4-propan-2-yl-2-pyridinyl)indazol-3-amine;8-propan-2-yl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;3,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;4-methyl-7-(4-propan-2-yl-2-pyridinyl)-1,4-benzoxazin-3-one;6-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-(4-propan-2-yl-2-pyridinyl)indazol-3-amine;8-propan-2-yl-4H-1,4-benzoxazin-3-one
PubChem CID157378330
Molecular FormulaC144H162F2N24O4
Molecular Weight2331.04 g/mol
Exact Mass2329.32
IUPAC Name1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;3,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;4-methyl-7-(4-propan-2-yl-2-pyridinyl)-1,4-benzoxazin-3-one;6-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-(4-propan-2-yl-2-pyridinyl)indazol-3-amine;8-propan-2-yl-4H-1,4-benzoxazin-3-one
SMILESCC(C)c1cccc2c1OCC(=O)N2.CC(C)c1cccc2c1cnn2C.CC(C)c1cccc2nn(C)cc12.CC(C)c1ccnc(-c2ccc3c(c2)OCC(=O)N3C)c1.CC(C)c1ccnc(-c2ccc3c(c2)c(N)nn3C)c1.CC(C)c1ccnc(-c2cn(C)c3ncc(F)cc23)c1.CC(C)c1cn(C)c2ncc(F)cc12.CC1=Cc2cc(-c3cc(C(C)C)ccn3)cnc2C1.Cc1cn(C)c2ncc(-c3cc(C(C)C)ccn3)cc12.Cc1cnc2n(C)cc(-c3cc(C(C)C)ccn3)cc1-2
InChIInChI=1S/2C17H19N3.C17H18N2O2.C17H18N2.C16H16FN3.C16H18N4.C11H13FN2.2C11H14N2.C11H13NO2/c1-11(2)13-5-6-18-16(8-13)14-7-15-12(3)10-20(4)17(15)19-9-14;1-11(2)13-5-6-18-16(8-13)14-7-15-12(3)9-19-17(15)20(4)10-14;1-11(2)12-6-7-18-14(8-12)13-4-5-15-16(9-13)21-10-17(20)19(15)3;1-11(2)13-4-5-18-17(9-13)15-8-14-6-12(3)7-16(14)19-10-15;1-10(2)11-4-5-18-15(6-11)14-9-20(3)16-13(14)7-12(17)8-19-16;1-10(2)11-6-7-18-14(9-11)12-4-5-15-13(8-12)16(17)19-20(15)3;1-7(2)10-6-14(3)11-9(10)4-8(12)5-13-11;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-8(2)9-5-4-6-11-10(9)7-12-13(11)3;1-7(2)8-4-3-5-9-11(8)14-6-10(13)12-9/h2*5-11H,1-4H3;4-9,11H,10H2,1-3H3;4-6,8-11H,7H2,1-3H3;4-10H,1-3H3;4-10H,1-3H3,(H2,17,19);4-7H,1-3H3;2*4-8H,1-3H3;3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyBKORMRDPEOCAGG-UHFFFAOYSA-N
XLogP33.15
TPSA308.86 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002331.04
LogP ≤ 533.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze 1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;3,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;4-methyl-7-(4-propan-2-yl-2-pyridinyl)-1,4-benzoxazin-3-one;6-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-(4-propan-2-yl-2-pyridinyl)indazol-3-amine;8-propan-2-yl-4H-1,4-benzoxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

US20240150366, Example 13
CID 164875478
2-fluoro-N-[1-[2-[[[8-propan-2-yl-2-(3-pyrrolidin-3-yloxyphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]isoquinolin-6-yl]prop-2-enamide
CID 146187617
2-[3-[6-[4-[2-[3-[6-[2-[[2-[3-[5-fluoro-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]acetyl]amino]propyl]-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]acetyl]morpholin-2-yl]-4-[4-(1H-pyrazol-4-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 155227879
1-[4-(6-Tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]urea;1-[4-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 157751526
7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 157938882
5-[3-(benzylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(butylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 158021483
3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-[3-cyclopropyl-1-[7-(1-methylpyrrol-3-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-fluoro-1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methyl 1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 158056799
(1S,5R)-N-[1-(2-ethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(3-methylpyrazin-2-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 158599699
1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;N-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 158612452
CID 158744714
CID 158744714
3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[(3R)-7-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[6-(1-methylpyrazol-4-yl)-7-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 159072589
5-[5-(5H-cyclopenta[b]pyridin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(6-deuterio-2-pyridinyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(4,4-difluorocyclohexen-1-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(6-piperidin-1-yl-3-pyridinyl)indazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-(4-pyridin-3-ylindazol-1-yl)-1,2-thiazol-3-one;1-oxo-5-[5-(6-pyrrolidin-1-yl-3-pyridinyl)indazol-1-yl]-1,2-thiazol-3-one
CID 159119715

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;3,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;4-methyl-7-(4-propan-2-yl-2-pyridinyl)-1,4-benzoxazin-3-one;6-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-(4-propan-2-yl-2-pyridinyl)indazol-3-amine;8-propan-2-yl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;3,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;4-methyl-7-(4-propan-2-yl-2-pyridinyl)-1,4-benzoxazin-3-one;6-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-(4-propan-2-yl-2-pyridinyl)indazol-3-amine;8-propan-2-yl-4H-1,4-benzoxazin-3-one (CID 157378330) is 1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;3,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;4-methyl-7-(4-propan-2-yl-2-pyridinyl)-1,4-benzoxazin-3-one;6-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-(4-propan-2-yl-2-pyridinyl)indazol-3-amine;8-propan-2-yl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;3,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;4-methyl-7-(4-propan-2-yl-2-pyridinyl)-1,4-benzoxazin-3-one;6-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-(4-propan-2-yl-2-pyridinyl)indazol-3-amine;8-propan-2-yl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;3,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;4-methyl-7-(4-propan-2-yl-2-pyridinyl)-1,4-benzoxazin-3-one;6-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-(4-propan-2-yl-2-pyridinyl)indazol-3-amine;8-propan-2-yl-4H-1,4-benzoxazin-3-one is CC(C)c1cccc2c1OCC(=O)N2.CC(C)c1cccc2c1cnn2C.CC(C)c1cccc2nn(C)cc12.CC(C)c1ccnc(-c2ccc3c(c2)OCC(=O)N3C)c1.CC(C)c1ccnc(-c2ccc3c(c2)c(N)nn3C)c1.CC(C)c1ccnc(-c2cn(C)c3ncc(F)cc23)c1.CC(C)c1cn(C)c2ncc(F)cc12.CC1=Cc2cc(-c3cc(C(C)C)ccn3)cnc2C1.Cc1cn(C)c2ncc(-c3cc(C(C)C)ccn3)cc12.Cc1cnc2n(C)cc(-c3cc(C(C)C)ccn3)cc1-2.
What is the InChIKey of 1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;3,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;4-methyl-7-(4-propan-2-yl-2-pyridinyl)-1,4-benzoxazin-3-one;6-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-(4-propan-2-yl-2-pyridinyl)indazol-3-amine;8-propan-2-yl-4H-1,4-benzoxazin-3-one?
The InChIKey is BKORMRDPEOCAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H19N3.C17H18N2O2.C17H18N2.C16H16FN3.C16H18N4.C11H13FN2.2C11H14N2.C11H13NO2/c1-11(2)13-5-6-18-16(8-13)14-7-15-12(3)10-20(4)17(15)19-9-14;1-11(2)13-5-6-18-16(8-13)14-7-15-12(3)9-19-17(15)20(4)10-14;1-11(2)12-6-7-18-14(8-12)13-4-5-15-16(9-13)21-10-17(20)19(15)3;1-11(2)13-4-5-18-17(9-13)15-8-14-6-12(3)7-16(14)19-10-15;1-10(2)11-4-5-18-15(6-11)14-9-20(3)16-13(14)7-12(17)8-19-16;1-10(2)11-6-7-18-14(9-11)12-4-5-15-13(8-12)16(17)19-20(15)3;1-7(2)10-6-14(3)11-9(10)4-8(12)5-13-11;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-8(2)9-5-4-6-11-10(9)7-12-13(11)3;1-7(2)8-4-3-5-9-11(8)14-6-10(13)12-9/h2*5-11H,1-4H3;4-9,11H,10H2,1-3H3;4-6,8-11H,7H2,1-3H3;4-10H,1-3H3;4-10H,1-3H3,(H2,17,19);4-7H,1-3H3;2*4-8H,1-3H3;3-5,7H,6H2,1-2H3,(H,12,13).
What are the key properties of 1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;3,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;4-methyl-7-(4-propan-2-yl-2-pyridinyl)-1,4-benzoxazin-3-one;6-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-(4-propan-2-yl-2-pyridinyl)indazol-3-amine;8-propan-2-yl-4H-1,4-benzoxazin-3-one?
1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;3,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;4-methyl-7-(4-propan-2-yl-2-pyridinyl)-1,4-benzoxazin-3-one;6-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-(4-propan-2-yl-2-pyridinyl)indazol-3-amine;8-propan-2-yl-4H-1,4-benzoxazin-3-one has a molecular weight of 2331.04 g/mol, XLogP of 33.15, 16 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;3,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;4-methyl-7-(4-propan-2-yl-2-pyridinyl)-1,4-benzoxazin-3-one;6-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-(4-propan-2-yl-2-pyridinyl)indazol-3-amine;8-propan-2-yl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 157378330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).