N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C28H32N6O — CID 44626298

IUPACN-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2nn3c(NC4CCCC4)ccnc3c2-c2ccnc(NC3CCCC3)c2)cc1
InChIInChI=1S/C28H32N6O/c1-35-23-12-10-19(11-13-23)27-26(20-14-16-29-24(18-20)31-21-6-2-3-7-21)28-30-17-15-25(34(28)33-27)32-22-8-4-5-9-22/h10-18,21-22,32H,2-9H2,1H3,(H,29,31)
InChIKeyVHMVKZRPAUOMFR-UHFFFAOYSA-N
MW468.61 g/mol
LogP6.18
Rot. Bonds7

About N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 44626298) has the molecular formula C28H32N6O and a molecular weight of 468.61 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID44626298
Molecular FormulaC28H32N6O
Molecular Weight468.61 g/mol
Exact Mass468.26
IUPAC NameN-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2nn3c(NC4CCCC4)ccnc3c2-c2ccnc(NC3CCCC3)c2)cc1
InChIInChI=1S/C28H32N6O/c1-35-23-12-10-19(11-13-23)27-26(20-14-16-29-24(18-20)31-21-6-2-3-7-21)28-30-17-15-25(34(28)33-27)32-22-8-4-5-9-22/h10-18,21-22,32H,2-9H2,1H3,(H,29,31)
InChIKeyVHMVKZRPAUOMFR-UHFFFAOYSA-N
XLogP6.18
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.61
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 44626298) is N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2nn3c(NC4CCCC4)ccnc3c2-c2ccnc(NC3CCCC3)c2)cc1.
What is the InChIKey of N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VHMVKZRPAUOMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O/c1-35-23-12-10-19(11-13-23)27-26(20-14-16-29-24(18-20)31-21-6-2-3-7-21)28-30-17-15-25(34(28)33-27)32-22-8-4-5-9-22/h10-18,21-22,32H,2-9H2,1H3,(H,29,31).
What are the key properties of N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 468.61 g/mol, XLogP of 6.18, 7 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)-4-pyridinyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 44626298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).