4-benzyl-3-methyl-2H-pyrazolo[4,3-c]pyridine;N,N-dimethyl-4-[(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)amino]benzamide;N-(3-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(4-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;2-methyl-N-(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1H-pyrrolo[3,4-c]pyridin-4-amine

C95H100N22O5S — CID 159197804

IUPAC4-benzyl-3-methyl-2H-pyrazolo[4,3-c]pyridine;N,N-dimethyl-4-[(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)amino]benzamide;N-(3-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(4-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;2-methyl-N-(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1H-pyrrolo[3,4-c]pyridin-4-amine
SMILESCC1=NCc2ccnc(Nc3ccc(C(=O)N(C)C)cc3)c21.CC1=NCc2ccnc(Nc3ccc4c(c3)CN(C)CC4)c21.CC1=NCc2ccnc(Nc3cccc(CS(C)(=O)=O)c3)c21.CCOc1ccc(Nc2nccc3n[nH]c(C)c23)cc1.CCOc1cccc(Nc2nccc3n[nH]c(C)c23)c1.Cc1[nH]nc2ccnc(Cc3ccccc3)c12
InChIInChI=1S/C18H20N4.C17H18N4O.C16H17N3O2S.2C15H16N4O.C14H13N3/c1-12-17-14(10-20-12)5-7-19-18(17)21-16-4-3-13-6-8-22(2)11-15(13)9-16;1-11-15-13(10-19-11)8-9-18-16(15)20-14-6-4-12(5-7-14)17(22)21(2)3;1-11-15-13(9-18-11)6-7-17-16(15)19-14-5-3-4-12(8-14)10-22(2,20)21;1-3-20-12-6-4-11(5-7-12)17-15-14-10(2)18-19-13(14)8-9-16-15;1-3-20-12-6-4-5-11(9-12)17-15-14-10(2)18-19-13(14)7-8-16-15;1-10-14-12(17-16-10)7-8-15-13(14)9-11-5-3-2-4-6-11/h3-5,7,9H,6,8,10-11H2,1-2H3,(H,19,21);4-9H,10H2,1-3H3,(H,18,20);3-8H,9-10H2,1-2H3,(H,17,19);2*4-9H,3H2,1-2H3,(H,16,17)(H,18,19);2-8H,9H2,1H3,(H,16,17)
InChIKeyKOWTWDLBXHBZSI-UHFFFAOYSA-N
MW1662.06 g/mol
LogP18.35
Rot. Bonds19

About 4-benzyl-3-methyl-2H-pyrazolo[4,3-c]pyridine;N,N-dimethyl-4-[(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)amino]benzamide;N-(3-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(4-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;2-methyl-N-(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1H-pyrrolo[3,4-c]pyridin-4-amine

4-benzyl-3-methyl-2H-pyrazolo[4,3-c]pyridine;N,N-dimethyl-4-[(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)amino]benzamide;N-(3-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(4-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;2-methyl-N-(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1H-pyrrolo[3,4-c]pyridin-4-amine (PubChem CID 159197804) has the molecular formula C95H100N22O5S and a molecular weight of 1662.06 g/mol. Its IUPAC name is 4-benzyl-3-methyl-2H-pyrazolo[4,3-c]pyridine;N,N-dimethyl-4-[(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)amino]benzamide;N-(3-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(4-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;2-methyl-N-(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1H-pyrrolo[3,4-c]pyridin-4-amine.

Molecular Properties

Compound Name4-benzyl-3-methyl-2H-pyrazolo[4,3-c]pyridine;N,N-dimethyl-4-[(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)amino]benzamide;N-(3-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(4-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;2-methyl-N-(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1H-pyrrolo[3,4-c]pyridin-4-amine
PubChem CID159197804
Molecular FormulaC95H100N22O5S
Molecular Weight1662.06 g/mol
Exact Mass1660.80
IUPAC Name4-benzyl-3-methyl-2H-pyrazolo[4,3-c]pyridine;N,N-dimethyl-4-[(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)amino]benzamide;N-(3-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(4-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;2-methyl-N-(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1H-pyrrolo[3,4-c]pyridin-4-amine
SMILESCC1=NCc2ccnc(Nc3ccc(C(=O)N(C)C)cc3)c21.CC1=NCc2ccnc(Nc3ccc4c(c3)CN(C)CC4)c21.CC1=NCc2ccnc(Nc3cccc(CS(C)(=O)=O)c3)c21.CCOc1ccc(Nc2nccc3n[nH]c(C)c23)cc1.CCOc1cccc(Nc2nccc3n[nH]c(C)c23)c1.Cc1[nH]nc2ccnc(Cc3ccccc3)c12
InChIInChI=1S/C18H20N4.C17H18N4O.C16H17N3O2S.2C15H16N4O.C14H13N3/c1-12-17-14(10-20-12)5-7-19-18(17)21-16-4-3-13-6-8-22(2)11-15(13)9-16;1-11-15-13(10-19-11)8-9-18-16(15)20-14-6-4-12(5-7-14)17(22)21(2)3;1-11-15-13(9-18-11)6-7-17-16(15)19-14-5-3-4-12(8-14)10-22(2,20)21;1-3-20-12-6-4-11(5-7-12)17-15-14-10(2)18-19-13(14)8-9-16-15;1-3-20-12-6-4-5-11(9-12)17-15-14-10(2)18-19-13(14)7-8-16-15;1-10-14-12(17-16-10)7-8-15-13(14)9-11-5-3-2-4-6-11/h3-5,7,9H,6,8,10-11H2,1-2H3,(H,19,21);4-9H,10H2,1-3H3,(H,18,20);3-8H,9-10H2,1-2H3,(H,17,19);2*4-9H,3H2,1-2H3,(H,16,17)(H,18,19);2-8H,9H2,1H3,(H,16,17)
InChIKeyKOWTWDLBXHBZSI-UHFFFAOYSA-N
XLogP18.35
TPSA336.76 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001662.06
LogP ≤ 518.35
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Analyze 4-benzyl-3-methyl-2H-pyrazolo[4,3-c]pyridine;N,N-dimethyl-4-[(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)amino]benzamide;N-(3-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(4-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;2-methyl-N-(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1H-pyrrolo[3,4-c]pyridin-4-amine with MolForge

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Related Compounds

2-[4-(1H-indazol-5-yloxy)piperidin-1-yl]-3-methyl-7-[[5-oxo-2-[4-[(2-oxo-1,3-dihydro-2-benzothiophen-5-yl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-3-yl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129302120
2-N-[3-(2-aminoethoxy)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pentan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pentan-3-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidine-2,4-diamine;N-methyl-4-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-oxobutanamide
CID 157860761
N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;5-[[2-[(3-methoxyphenyl)methyl]-4-pyridinyl]oxy]-2-methyl-1H-indole;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]propan-1-one
CID 158900779
N-(3,5-difluorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N,N-dimethyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-(2-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(3-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(4-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-phenyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-[3-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]methanesulfonamide
CID 158994004
CID 159070651
CID 159070651
N-(3-benzylphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide
CID 159628179
N-cyclopropyl-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-N-ethyl-1-N-methyl-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine;4-methoxy-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]butan-1-one;(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone;1-(2-methylphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone
CID 162131529

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-methyl-2H-pyrazolo[4,3-c]pyridine;N,N-dimethyl-4-[(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)amino]benzamide;N-(3-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(4-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;2-methyl-N-(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1H-pyrrolo[3,4-c]pyridin-4-amine?
The IUPAC name of 4-benzyl-3-methyl-2H-pyrazolo[4,3-c]pyridine;N,N-dimethyl-4-[(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)amino]benzamide;N-(3-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(4-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;2-methyl-N-(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1H-pyrrolo[3,4-c]pyridin-4-amine (CID 159197804) is 4-benzyl-3-methyl-2H-pyrazolo[4,3-c]pyridine;N,N-dimethyl-4-[(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)amino]benzamide;N-(3-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(4-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;2-methyl-N-(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1H-pyrrolo[3,4-c]pyridin-4-amine.
What is the SMILES notation for 4-benzyl-3-methyl-2H-pyrazolo[4,3-c]pyridine;N,N-dimethyl-4-[(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)amino]benzamide;N-(3-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(4-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;2-methyl-N-(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1H-pyrrolo[3,4-c]pyridin-4-amine?
The canonical SMILES for 4-benzyl-3-methyl-2H-pyrazolo[4,3-c]pyridine;N,N-dimethyl-4-[(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)amino]benzamide;N-(3-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(4-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;2-methyl-N-(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1H-pyrrolo[3,4-c]pyridin-4-amine is CC1=NCc2ccnc(Nc3ccc(C(=O)N(C)C)cc3)c21.CC1=NCc2ccnc(Nc3ccc4c(c3)CN(C)CC4)c21.CC1=NCc2ccnc(Nc3cccc(CS(C)(=O)=O)c3)c21.CCOc1ccc(Nc2nccc3n[nH]c(C)c23)cc1.CCOc1cccc(Nc2nccc3n[nH]c(C)c23)c1.Cc1[nH]nc2ccnc(Cc3ccccc3)c12.
What is the InChIKey of 4-benzyl-3-methyl-2H-pyrazolo[4,3-c]pyridine;N,N-dimethyl-4-[(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)amino]benzamide;N-(3-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(4-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;2-methyl-N-(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1H-pyrrolo[3,4-c]pyridin-4-amine?
The InChIKey is KOWTWDLBXHBZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4.C17H18N4O.C16H17N3O2S.2C15H16N4O.C14H13N3/c1-12-17-14(10-20-12)5-7-19-18(17)21-16-4-3-13-6-8-22(2)11-15(13)9-16;1-11-15-13(10-19-11)8-9-18-16(15)20-14-6-4-12(5-7-14)17(22)21(2)3;1-11-15-13(9-18-11)6-7-17-16(15)19-14-5-3-4-12(8-14)10-22(2,20)21;1-3-20-12-6-4-11(5-7-12)17-15-14-10(2)18-19-13(14)8-9-16-15;1-3-20-12-6-4-5-11(9-12)17-15-14-10(2)18-19-13(14)7-8-16-15;1-10-14-12(17-16-10)7-8-15-13(14)9-11-5-3-2-4-6-11/h3-5,7,9H,6,8,10-11H2,1-2H3,(H,19,21);4-9H,10H2,1-3H3,(H,18,20);3-8H,9-10H2,1-2H3,(H,17,19);2*4-9H,3H2,1-2H3,(H,16,17)(H,18,19);2-8H,9H2,1H3,(H,16,17).
What are the key properties of 4-benzyl-3-methyl-2H-pyrazolo[4,3-c]pyridine;N,N-dimethyl-4-[(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)amino]benzamide;N-(3-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(4-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;2-methyl-N-(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1H-pyrrolo[3,4-c]pyridin-4-amine?
4-benzyl-3-methyl-2H-pyrazolo[4,3-c]pyridine;N,N-dimethyl-4-[(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)amino]benzamide;N-(3-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(4-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;2-methyl-N-(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1H-pyrrolo[3,4-c]pyridin-4-amine has a molecular weight of 1662.06 g/mol, XLogP of 18.35, 19 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-methyl-2H-pyrazolo[4,3-c]pyridine;N,N-dimethyl-4-[(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)amino]benzamide;N-(3-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(4-ethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;2-methyl-N-(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1H-pyrrolo[3,4-c]pyridin-4-amine is sourced from PubChem (CID 159197804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).