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

C28H31ClN6O — CID 10278790

IUPAC5-chloro-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-amine
SMILESCOc1ccc(-c2nn3c(NC4CCCC4)cc(Cl)cc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C28H31ClN6O/c1-36-22-12-10-18(11-13-22)27-26(23-14-15-30-28(33-23)32-21-8-4-5-9-21)24-16-19(29)17-25(35(24)34-27)31-20-6-2-3-7-20/h10-17,20-21,31H,2-9H2,1H3,(H,30,32,33)
InChIKeyARFXCYCTFNKRNL-UHFFFAOYSA-N
MW503.05 g/mol
LogP6.83
Rot. Bonds7

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

5-chloro-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-amine (PubChem CID 10278790) has the molecular formula C28H31ClN6O and a molecular weight of 503.05 g/mol. Its IUPAC name is 5-chloro-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-amine
PubChem CID10278790
Molecular FormulaC28H31ClN6O
Molecular Weight503.05 g/mol
Exact Mass502.22
IUPAC Name5-chloro-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-amine
SMILESCOc1ccc(-c2nn3c(NC4CCCC4)cc(Cl)cc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C28H31ClN6O/c1-36-22-12-10-18(11-13-22)27-26(23-14-15-30-28(33-23)32-21-8-4-5-9-21)24-16-19(29)17-25(35(24)34-27)31-20-6-2-3-7-20/h10-17,20-21,31H,2-9H2,1H3,(H,30,32,33)
InChIKeyARFXCYCTFNKRNL-UHFFFAOYSA-N
XLogP6.83
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.05
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-amine?
The IUPAC name of 5-chloro-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-amine (CID 10278790) is 5-chloro-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 5-chloro-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for 5-chloro-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-amine is COc1ccc(-c2nn3c(NC4CCCC4)cc(Cl)cc3c2-c2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of 5-chloro-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-amine?
The InChIKey is ARFXCYCTFNKRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN6O/c1-36-22-12-10-18(11-13-22)27-26(23-14-15-30-28(33-23)32-21-8-4-5-9-21)24-16-19(29)17-25(35(24)34-27)31-20-6-2-3-7-20/h10-17,20-21,31H,2-9H2,1H3,(H,30,32,33).
What are the key properties of 5-chloro-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-amine?
5-chloro-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-amine has a molecular weight of 503.05 g/mol, XLogP of 6.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 10278790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).