N-[3-[2-amino-6-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]-4-cyclopropylbenzamide

C32H34N8O — CID 90008324

IUPACN-[3-[2-amino-6-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]-4-cyclopropylbenzamide
SMILESCc1c(NC(=O)c2ccc(C3CC3)cc2)cccc1-c1nc(N)nc2[nH]c(-c3cn[nH]c3C3CCN(C)CC3)cc12
InChIInChI=1S/C32H34N8O/c1-18-23(4-3-5-26(18)36-31(41)22-10-8-20(9-11-22)19-6-7-19)29-24-16-27(35-30(24)38-32(33)37-29)25-17-34-39-28(25)21-12-14-40(2)15-13-21/h3-5,8-11,16-17,19,21H,6-7,12-15H2,1-2H3,(H,34,39)(H,36,41)(H3,33,35,37,38)
InChIKeyZTMVMTXGGWDZJO-UHFFFAOYSA-N
MW546.68 g/mol
LogP5.84
Rot. Bonds6

About N-[3-[2-amino-6-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]-4-cyclopropylbenzamide

N-[3-[2-amino-6-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]-4-cyclopropylbenzamide (PubChem CID 90008324) has the molecular formula C32H34N8O and a molecular weight of 546.68 g/mol. Its IUPAC name is N-[3-[2-amino-6-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]-4-cyclopropylbenzamide.

Molecular Properties

Compound NameN-[3-[2-amino-6-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]-4-cyclopropylbenzamide
PubChem CID90008324
Molecular FormulaC32H34N8O
Molecular Weight546.68 g/mol
Exact Mass546.29
IUPAC NameN-[3-[2-amino-6-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]-4-cyclopropylbenzamide
SMILESCc1c(NC(=O)c2ccc(C3CC3)cc2)cccc1-c1nc(N)nc2[nH]c(-c3cn[nH]c3C3CCN(C)CC3)cc12
InChIInChI=1S/C32H34N8O/c1-18-23(4-3-5-26(18)36-31(41)22-10-8-20(9-11-22)19-6-7-19)29-24-16-27(35-30(24)38-32(33)37-29)25-17-34-39-28(25)21-12-14-40(2)15-13-21/h3-5,8-11,16-17,19,21H,6-7,12-15H2,1-2H3,(H,34,39)(H,36,41)(H3,33,35,37,38)
InChIKeyZTMVMTXGGWDZJO-UHFFFAOYSA-N
XLogP5.84
TPSA128.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.68
LogP ≤ 55.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[3-[2-amino-6-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]-4-cyclopropylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[2-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]-1,3-dihydroisoindole-2-carboxamide
CID 90008379
N-[3-[2-amino-6-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)phenyl]-4-cyclopropylbenzamide
CID 90008383
N-[3-[2-amino-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]-1,3-dihydroisoindole-2-carboxamide
CID 90008340
N-[3-[2-amino-6-[4-[(2,4-dimethylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]-1,3-dihydroisoindole-2-carboxamide
CID 90008325
N-[3-[2-amino-6-[4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]isoindole-2-carboxamide
CID 90008369
4-cyclohexyl-N-[2-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide
CID 24788947
4-[4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzoic acid
CID 169204037
N-[6-(2-fluoroanilino)-1H-indazol-3-yl]-4-(1-methylpiperidin-4-yl)benzamide
CID 155208863
N-(8-fluoroquinoxalin-5-yl)-4-(1-methylpiperidin-4-yl)benzamide
CID 171471671
N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 146109328
4-[4-[3-[(4-cyclopropylbenzoyl)amino]-2-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid;N,N-dimethylformamide
CID 174715778
2-amino-N-(2-hydroxy-5-methoxyphenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 68654839

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-6-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]-4-cyclopropylbenzamide?
The IUPAC name of N-[3-[2-amino-6-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]-4-cyclopropylbenzamide (CID 90008324) is N-[3-[2-amino-6-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]-4-cyclopropylbenzamide.
What is the SMILES notation for N-[3-[2-amino-6-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]-4-cyclopropylbenzamide?
The canonical SMILES for N-[3-[2-amino-6-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]-4-cyclopropylbenzamide is Cc1c(NC(=O)c2ccc(C3CC3)cc2)cccc1-c1nc(N)nc2[nH]c(-c3cn[nH]c3C3CCN(C)CC3)cc12.
What is the InChIKey of N-[3-[2-amino-6-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]-4-cyclopropylbenzamide?
The InChIKey is ZTMVMTXGGWDZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N8O/c1-18-23(4-3-5-26(18)36-31(41)22-10-8-20(9-11-22)19-6-7-19)29-24-16-27(35-30(24)38-32(33)37-29)25-17-34-39-28(25)21-12-14-40(2)15-13-21/h3-5,8-11,16-17,19,21H,6-7,12-15H2,1-2H3,(H,34,39)(H,36,41)(H3,33,35,37,38).
What are the key properties of N-[3-[2-amino-6-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]-4-cyclopropylbenzamide?
N-[3-[2-amino-6-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]-4-cyclopropylbenzamide has a molecular weight of 546.68 g/mol, XLogP of 5.84, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-6-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]-4-cyclopropylbenzamide is sourced from PubChem (CID 90008324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).