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

C31H35N11O2 — CID 142664457

IUPACN-[4-[4-amino-1-[1-[(3-methyl-1,2-dihydroimidazol-4-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(CC4=CNCN4C)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2cnccc2n1C
InChIInChI=1S/C31H35N11O2/c1-39-18-34-15-22(39)16-41-10-7-21(8-11-41)42-30-27(29(32)35-17-36-30)28(38-42)19-4-5-23(26(13-19)44-3)37-31(43)25-12-20-14-33-9-6-24(20)40(25)2/h4-6,9,12-15,17,21,34H,7-8,10-11,16,18H2,1-3H3,(H,37,43)(H2,32,35,36)
InChIKeyFYPBKQWODMYLEG-UHFFFAOYSA-N
MW593.70 g/mol
LogP3.19
Rot. Bonds7

About N-[4-[4-amino-1-[1-[(3-methyl-1,2-dihydroimidazol-4-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-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 142664457) has the molecular formula C31H35N11O2 and a molecular weight of 593.70 g/mol. Its IUPAC name is N-[4-[4-amino-1-[1-[(3-methyl-1,2-dihydroimidazol-4-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-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID142664457
Molecular FormulaC31H35N11O2
Molecular Weight593.70 g/mol
Exact Mass593.30
IUPAC NameN-[4-[4-amino-1-[1-[(3-methyl-1,2-dihydroimidazol-4-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(CC4=CNCN4C)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2cnccc2n1C
InChIInChI=1S/C31H35N11O2/c1-39-18-34-15-22(39)16-41-10-7-21(8-11-41)42-30-27(29(32)35-17-36-30)28(38-42)19-4-5-23(26(13-19)44-3)37-31(43)25-12-20-14-33-9-6-24(20)40(25)2/h4-6,9,12-15,17,21,34H,7-8,10-11,16,18H2,1-3H3,(H,37,43)(H2,32,35,36)
InChIKeyFYPBKQWODMYLEG-UHFFFAOYSA-N
XLogP3.19
TPSA144.28 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.70
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-[4-[4-amino-1-[1-[(3-methyl-1,2-dihydroimidazol-4-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

N-[4-[4-amino-1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide
CID 22347154
N-[4-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide;N-[4-[4-amino-1-(1-propan-2-ylpiperidin-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-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide
CID 158129370
N-[4-[4-amino-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
CID 22347232
N-[4-[4-amino-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide
CID 20817309
tert-butyl N-[2-[4-[4-[4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]ethyl]carbamate
CID 90148150
N-[4-[4-amino-1-[1-[2-[[(2R)-4-(2,5-dimethyl-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl)-2-methylbutanoyl]amino]ethyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
CID 134396661
N-[4-[4-amino-1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-2-fluoro-4-(trifluoromethyl)benzamide
CID 20817313
N-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]benzamide
CID 6539956
N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1,2-oxazole-5-carboxamide
CID 22347301
N-[4-[4-amino-1-[4-[4-[2-[[2-methyl-4-(3-methyl-3-bicyclo[3.3.1]nonanyl)butanoyl]amino]ethyl]piperazin-1-yl]cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
CID 90148180
N-[4-[4-amino-1-[4-[4-[2-[[(2R)-2-methyl-4-(3-methyl-3-bicyclo[3.3.1]nonanyl)butanoyl]amino]ethyl]piperazin-1-yl]cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
CID 90148178
N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-2,4-difluorobenzamide
CID 22346979

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-1-[1-[(3-methyl-1,2-dihydroimidazol-4-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-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide (CID 142664457) is N-[4-[4-amino-1-[1-[(3-methyl-1,2-dihydroimidazol-4-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-[(3-methyl-1,2-dihydroimidazol-4-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-[(3-methyl-1,2-dihydroimidazol-4-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(CC4=CNCN4C)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2cnccc2n1C.
What is the InChIKey of N-[4-[4-amino-1-[1-[(3-methyl-1,2-dihydroimidazol-4-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 FYPBKQWODMYLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N11O2/c1-39-18-34-15-22(39)16-41-10-7-21(8-11-41)42-30-27(29(32)35-17-36-30)28(38-42)19-4-5-23(26(13-19)44-3)37-31(43)25-12-20-14-33-9-6-24(20)40(25)2/h4-6,9,12-15,17,21,34H,7-8,10-11,16,18H2,1-3H3,(H,37,43)(H2,32,35,36).
What are the key properties of N-[4-[4-amino-1-[1-[(3-methyl-1,2-dihydroimidazol-4-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-[(3-methyl-1,2-dihydroimidazol-4-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 593.70 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-1-[1-[(3-methyl-1,2-dihydroimidazol-4-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 142664457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).