5-N,7-N-dicyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-5,7-diamine

C32H38FN7 — CID 10165756

IUPAC5-N,7-N-dicyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-5,7-diamine
SMILESFc1ccc(-c2nn3c(NC4CCCC4)cc(NC4CCCC4)cc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C32H38FN7/c33-22-15-13-21(14-16-22)31-30(27-17-18-34-32(38-27)37-25-11-5-6-12-25)28-19-26(35-23-7-1-2-8-23)20-29(40(28)39-31)36-24-9-3-4-10-24/h13-20,23-25,35-36H,1-12H2,(H,34,37,38)
InChIKeyHVVHRPMDSDNHEJ-UHFFFAOYSA-N
MW539.70 g/mol
LogP7.66
Rot. Bonds8

About 5-N,7-N-dicyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-5,7-diamine

5-N,7-N-dicyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-5,7-diamine (PubChem CID 10165756) has the molecular formula C32H38FN7 and a molecular weight of 539.70 g/mol. Its IUPAC name is 5-N,7-N-dicyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-5,7-diamine.

Molecular Properties

Compound Name5-N,7-N-dicyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-5,7-diamine
PubChem CID10165756
Molecular FormulaC32H38FN7
Molecular Weight539.70 g/mol
Exact Mass539.32
IUPAC Name5-N,7-N-dicyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-5,7-diamine
SMILESFc1ccc(-c2nn3c(NC4CCCC4)cc(NC4CCCC4)cc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C32H38FN7/c33-22-15-13-21(14-16-22)31-30(27-17-18-34-32(38-27)37-25-11-5-6-12-25)28-19-26(35-23-7-1-2-8-23)20-29(40(28)39-31)36-24-9-3-4-10-24/h13-20,23-25,35-36H,1-12H2,(H,34,37,38)
InChIKeyHVVHRPMDSDNHEJ-UHFFFAOYSA-N
XLogP7.66
TPSA79.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.70
LogP ≤ 57.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-N,7-N-dicyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-5,7-diamine?
The IUPAC name of 5-N,7-N-dicyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-5,7-diamine (CID 10165756) is 5-N,7-N-dicyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-5,7-diamine.
What is the SMILES notation for 5-N,7-N-dicyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-5,7-diamine?
The canonical SMILES for 5-N,7-N-dicyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-5,7-diamine is Fc1ccc(-c2nn3c(NC4CCCC4)cc(NC4CCCC4)cc3c2-c2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of 5-N,7-N-dicyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-5,7-diamine?
The InChIKey is HVVHRPMDSDNHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38FN7/c33-22-15-13-21(14-16-22)31-30(27-17-18-34-32(38-27)37-25-11-5-6-12-25)28-19-26(35-23-7-1-2-8-23)20-29(40(28)39-31)36-24-9-3-4-10-24/h13-20,23-25,35-36H,1-12H2,(H,34,37,38).
What are the key properties of 5-N,7-N-dicyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-5,7-diamine?
5-N,7-N-dicyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-5,7-diamine has a molecular weight of 539.70 g/mol, XLogP of 7.66, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,7-N-dicyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-5,7-diamine is sourced from PubChem (CID 10165756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).