N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]pyrazolo[1,5-a]pyridin-5-amine

C31H36N6O — CID 10164428

IUPACN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]pyrazolo[1,5-a]pyridin-5-amine
SMILESc1cc(-c2c(-c3ccc(OCC4CC4)cc3)nn3ccc(NC4CCCC4)cc23)nc(NC2CCCC2)n1
InChIInChI=1S/C31H36N6O/c1-2-6-23(5-1)33-25-16-18-37-28(19-25)29(27-15-17-32-31(35-27)34-24-7-3-4-8-24)30(36-37)22-11-13-26(14-12-22)38-20-21-9-10-21/h11-19,21,23-24,33H,1-10,20H2,(H,32,34,35)
InChIKeyGBVRWXQLLMGEQJ-UHFFFAOYSA-N
MW508.67 g/mol
LogP6.96
Rot. Bonds9

About N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]pyrazolo[1,5-a]pyridin-5-amine

N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]pyrazolo[1,5-a]pyridin-5-amine (PubChem CID 10164428) has the molecular formula C31H36N6O and a molecular weight of 508.67 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]pyrazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]pyrazolo[1,5-a]pyridin-5-amine
PubChem CID10164428
Molecular FormulaC31H36N6O
Molecular Weight508.67 g/mol
Exact Mass508.30
IUPAC NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]pyrazolo[1,5-a]pyridin-5-amine
SMILESc1cc(-c2c(-c3ccc(OCC4CC4)cc3)nn3ccc(NC4CCCC4)cc23)nc(NC2CCCC2)n1
InChIInChI=1S/C31H36N6O/c1-2-6-23(5-1)33-25-16-18-37-28(19-25)29(27-15-17-32-31(35-27)34-24-7-3-4-8-24)30(36-37)22-11-13-26(14-12-22)38-20-21-9-10-21/h11-19,21,23-24,33H,1-10,20H2,(H,32,34,35)
InChIKeyGBVRWXQLLMGEQJ-UHFFFAOYSA-N
XLogP6.96
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.67
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]pyrazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]pyrazolo[1,5-a]pyridin-5-amine (CID 10164428) is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]pyrazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]pyrazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]pyrazolo[1,5-a]pyridin-5-amine is c1cc(-c2c(-c3ccc(OCC4CC4)cc3)nn3ccc(NC4CCCC4)cc23)nc(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]pyrazolo[1,5-a]pyridin-5-amine?
The InChIKey is GBVRWXQLLMGEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O/c1-2-6-23(5-1)33-25-16-18-37-28(19-25)29(27-15-17-32-31(35-27)34-24-7-3-4-8-24)30(36-37)22-11-13-26(14-12-22)38-20-21-9-10-21/h11-19,21,23-24,33H,1-10,20H2,(H,32,34,35).
What are the key properties of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]pyrazolo[1,5-a]pyridin-5-amine?
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]pyrazolo[1,5-a]pyridin-5-amine has a molecular weight of 508.67 g/mol, XLogP of 6.96, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]pyrazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 10164428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).