N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide

C62H66N22O4 — CID 157399613

IUPACN-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCOc1cc(-c2nn(C3CCN(Cc4cnc(C)[nH]4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccncc2n1C.COc1cc(-c2nn(C3CCN(Cc4cnc(C)[nH]4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2cnccc2n1C
InChIInChI=1S/2C31H33N11O2/c1-18-34-14-21(37-18)16-41-10-7-22(8-11-41)42-30-27(29(32)35-17-36-30)28(39-42)20-4-5-23(26(13-20)44-3)38-31(43)24-12-19-6-9-33-15-25(19)40(24)2;1-18-34-15-21(37-18)16-41-10-7-22(8-11-41)42-30-27(29(32)35-17-36-30)28(39-42)19-4-5-23(26(13-19)44-3)38-31(43)25-12-20-14-33-9-6-24(20)40(25)2/h2*4-6,9,12-15,17,22H,7-8,10-11,16H2,1-3H3,(H,34,37)(H,38,43)(H2,32,35,36)
InChIKeyBMZIZEIBQXGJQY-UHFFFAOYSA-N
MW1183.36 g/mol
LogP8.18
Rot. Bonds14

About N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide

N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 157399613) has the molecular formula C62H66N22O4 and a molecular weight of 1183.36 g/mol. Its IUPAC name is N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID157399613
Molecular FormulaC62H66N22O4
Molecular Weight1183.36 g/mol
Exact Mass1182.56
IUPAC NameN-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCOc1cc(-c2nn(C3CCN(Cc4cnc(C)[nH]4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccncc2n1C.COc1cc(-c2nn(C3CCN(Cc4cnc(C)[nH]4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2cnccc2n1C
InChIInChI=1S/2C31H33N11O2/c1-18-34-14-21(37-18)16-41-10-7-22(8-11-41)42-30-27(29(32)35-17-36-30)28(39-42)20-4-5-23(26(13-20)44-3)38-31(43)24-12-19-6-9-33-15-25(19)40(24)2;1-18-34-15-21(37-18)16-41-10-7-22(8-11-41)42-30-27(29(32)35-17-36-30)28(39-42)19-4-5-23(26(13-19)44-3)38-31(43)25-12-20-14-33-9-6-24(20)40(25)2/h2*4-6,9,12-15,17,22H,7-8,10-11,16H2,1-3H3,(H,34,37)(H,38,43)(H2,32,35,36)
InChIKeyBMZIZEIBQXGJQY-UHFFFAOYSA-N
XLogP8.18
TPSA315.38 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001183.36
LogP ≤ 58.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide with MolForge

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Related Compounds

1H-Indole-2-carboxamide, N-(4-(1-(trans-4-(4-acetyl-1-piperazinyl)cyclohexyl)-4-amino-1H-pyrazolo(3,4-d)pyrimidin-3-yl)-2-methoxyphenyl)-1-methyl-
CID 9549184
A-420983
CID 9549183
N-(4-{4-Amino-1-[1-(Tetrahydro-2h-Pyran-4-Yl)piperidin-4-Yl]-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl}-2-Methoxyphenyl)-1-Methyl-1h-Indole-2-Carboxamide
CID 9549185
trans-N2-(4-{4-amino-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1H-2-indolecarboxamide
CID 20817081
N-(4-(1-(1-(1-acetylpiperidin-4-yl)piperidin-4-yl)-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide
CID 22346679
N-(4-(4-amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide
CID 44432315
4-[[(4R)-4-ethyl-1-methyl-5-(pyridin-2-ylmethyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 162667903
N-(4-(4-amino-1-(1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)-5-chloro-1-methyl-1H-indole-2-carboxamide
CID 44406079
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-[(E)-4-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-5-(1H-imidazol-2-yl)-7-(3-morpholin-4-ylpropoxy)benzimidazol-1-yl]but-2-enyl]-7-methoxybenzimidazole-5-carboxamide
CID 164615286
3-Methoxy-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide
CID 67500604
3-Methoxy-4-[3-propan-2-yl-4-(4-pyridin-3-ylimidazol-1-yl)pyrazolo[3,4-b]pyridin-1-yl]benzamide
CID 67501043
US10544143, Example 6
CID 138686523

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide (CID 157399613) is N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide is COc1cc(-c2nn(C3CCN(Cc4cnc(C)[nH]4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccncc2n1C.COc1cc(-c2nn(C3CCN(Cc4cnc(C)[nH]4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2cnccc2n1C.
What is the InChIKey of N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is BMZIZEIBQXGJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H33N11O2/c1-18-34-14-21(37-18)16-41-10-7-22(8-11-41)42-30-27(29(32)35-17-36-30)28(39-42)20-4-5-23(26(13-20)44-3)38-31(43)24-12-19-6-9-33-15-25(19)40(24)2;1-18-34-15-21(37-18)16-41-10-7-22(8-11-41)42-30-27(29(32)35-17-36-30)28(39-42)19-4-5-23(26(13-19)44-3)38-31(43)25-12-20-14-33-9-6-24(20)40(25)2/h2*4-6,9,12-15,17,22H,7-8,10-11,16H2,1-3H3,(H,34,37)(H,38,43)(H2,32,35,36).
What are the key properties of N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide?
N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 1183.36 g/mol, XLogP of 8.18, 14 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 157399613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).