5-[(cyclopentylamino)methyl]-3-(3-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

C25H26N4O — CID 135925094

IUPAC5-[(cyclopentylamino)methyl]-3-(3-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNC4CCCC4)cc23)c1
InChIInChI=1S/C25H26N4O/c1-17-8-7-9-18(14-17)23-22-15-19(16-26-20-10-5-6-11-20)25(30)27-24(22)29(28-23)21-12-3-2-4-13-21/h2-4,7-9,12-15,20,26H,5-6,10-11,16H2,1H3,(H,27,30)
InChIKeyDGJHNGPQQQKENY-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.72
Rot. Bonds5

About 5-[(cyclopentylamino)methyl]-3-(3-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

5-[(cyclopentylamino)methyl]-3-(3-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135925094) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 5-[(cyclopentylamino)methyl]-3-(3-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name5-[(cyclopentylamino)methyl]-3-(3-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135925094
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name5-[(cyclopentylamino)methyl]-3-(3-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNC4CCCC4)cc23)c1
InChIInChI=1S/C25H26N4O/c1-17-8-7-9-18(14-17)23-22-15-19(16-26-20-10-5-6-11-20)25(30)27-24(22)29(28-23)21-12-3-2-4-13-21/h2-4,7-9,12-15,20,26H,5-6,10-11,16H2,1H3,(H,27,30)
InChIKeyDGJHNGPQQQKENY-UHFFFAOYSA-N
XLogP4.72
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopentylamino)methyl]-3-(3-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 5-[(cyclopentylamino)methyl]-3-(3-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135925094) is 5-[(cyclopentylamino)methyl]-3-(3-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 5-[(cyclopentylamino)methyl]-3-(3-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 5-[(cyclopentylamino)methyl]-3-(3-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1cccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNC4CCCC4)cc23)c1.
What is the InChIKey of 5-[(cyclopentylamino)methyl]-3-(3-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is DGJHNGPQQQKENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-17-8-7-9-18(14-17)23-22-15-19(16-26-20-10-5-6-11-20)25(30)27-24(22)29(28-23)21-12-3-2-4-13-21/h2-4,7-9,12-15,20,26H,5-6,10-11,16H2,1H3,(H,27,30).
What are the key properties of 5-[(cyclopentylamino)methyl]-3-(3-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
5-[(cyclopentylamino)methyl]-3-(3-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 398.51 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopentylamino)methyl]-3-(3-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135925094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).