(3-aminophenyl)-[4-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]methanone

C25H26N6O2 — CID 136620117

IUPAC(3-aminophenyl)-[4-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]methanone
SMILESCc1cnn2c(NC3CCN(C(=O)c4cccc(N)c4)CC3)cc(-c3ccccc3O)nc12
InChIInChI=1S/C25H26N6O2/c1-16-15-27-31-23(14-21(29-24(16)31)20-7-2-3-8-22(20)32)28-19-9-11-30(12-10-19)25(33)17-5-4-6-18(26)13-17/h2-8,13-15,19,28,32H,9-12,26H2,1H3
InChIKeyWJPCYKTXDNNQDH-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.71
Rot. Bonds4

About (3-aminophenyl)-[4-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]methanone

(3-aminophenyl)-[4-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]methanone (PubChem CID 136620117) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is (3-aminophenyl)-[4-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminophenyl)-[4-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]methanone
PubChem CID136620117
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name(3-aminophenyl)-[4-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]methanone
SMILESCc1cnn2c(NC3CCN(C(=O)c4cccc(N)c4)CC3)cc(-c3ccccc3O)nc12
InChIInChI=1S/C25H26N6O2/c1-16-15-27-31-23(14-21(29-24(16)31)20-7-2-3-8-22(20)32)28-19-9-11-30(12-10-19)25(33)17-5-4-6-18(26)13-17/h2-8,13-15,19,28,32H,9-12,26H2,1H3
InChIKeyWJPCYKTXDNNQDH-UHFFFAOYSA-N
XLogP3.71
TPSA108.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (3-aminophenyl)-[4-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]methanone 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

(Z,3Z)-1-[4-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]-3-propylidenehept-4-en-1-one
CID 142871227
2-aminosulfanyl-1-[4-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone
CID 143090387
2-[3-methyl-7-[[1-[4-(trifluoromethyl)cyclohexyl]piperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol
CID 162585214
[4-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]-cyclohexylmethanone
CID 136620106
[4-[[5-(2-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 89234663
1-[4-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]-2-cyclohexylethanone
CID 136593962
[4-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 21066212
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
3-bromo-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143090497
2-[[4-[[5-(2-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]methyl]phenol
CID 88986815
3-bromo-N-cyclopentyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143441458
[4-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 21066230

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-[4-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of (3-aminophenyl)-[4-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]methanone (CID 136620117) is (3-aminophenyl)-[4-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (3-aminophenyl)-[4-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (3-aminophenyl)-[4-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]methanone is Cc1cnn2c(NC3CCN(C(=O)c4cccc(N)c4)CC3)cc(-c3ccccc3O)nc12.
What is the InChIKey of (3-aminophenyl)-[4-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]methanone?
The InChIKey is WJPCYKTXDNNQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-16-15-27-31-23(14-21(29-24(16)31)20-7-2-3-8-22(20)32)28-19-9-11-30(12-10-19)25(33)17-5-4-6-18(26)13-17/h2-8,13-15,19,28,32H,9-12,26H2,1H3.
What are the key properties of (3-aminophenyl)-[4-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]methanone?
(3-aminophenyl)-[4-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]methanone has a molecular weight of 442.52 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-[4-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 136620117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).