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

C29H36N8 — CID 10289087

IUPACN-cyclopentyl-2-[2-(cyclopentylamino)-4-pyridinyl]-3-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine
SMILESCC(C)Nc1nccc(-c2c(-c3ccnc(NC4CCCC4)c3)nn3c(NC4CCCC4)cccc23)n1
InChIInChI=1S/C29H36N8/c1-19(2)32-29-31-17-15-23(35-29)27-24-12-7-13-26(34-22-10-5-6-11-22)37(24)36-28(27)20-14-16-30-25(18-20)33-21-8-3-4-9-21/h7,12-19,21-22,34H,3-6,8-11H2,1-2H3,(H,30,33)(H,31,32,35)
InChIKeyGRCKZNQHTWIEOG-UHFFFAOYSA-N
MW496.66 g/mol
LogP6.38
Rot. Bonds8

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

N-cyclopentyl-2-[2-(cyclopentylamino)-4-pyridinyl]-3-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine (PubChem CID 10289087) has the molecular formula C29H36N8 and a molecular weight of 496.66 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-(cyclopentylamino)-4-pyridinyl]-3-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-(cyclopentylamino)-4-pyridinyl]-3-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine
PubChem CID10289087
Molecular FormulaC29H36N8
Molecular Weight496.66 g/mol
Exact Mass496.31
IUPAC NameN-cyclopentyl-2-[2-(cyclopentylamino)-4-pyridinyl]-3-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine
SMILESCC(C)Nc1nccc(-c2c(-c3ccnc(NC4CCCC4)c3)nn3c(NC4CCCC4)cccc23)n1
InChIInChI=1S/C29H36N8/c1-19(2)32-29-31-17-15-23(35-29)27-24-12-7-13-26(34-22-10-5-6-11-22)37(24)36-28(27)20-14-16-30-25(18-20)33-21-8-3-4-9-21/h7,12-19,21-22,34H,3-6,8-11H2,1-2H3,(H,30,33)(H,31,32,35)
InChIKeyGRCKZNQHTWIEOG-UHFFFAOYSA-N
XLogP6.38
TPSA92.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.66
LogP ≤ 56.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-chlorophenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine
CID 10205592
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-amine
CID 10298784
N-cyclopentyl-3-[2-(hexan-3-ylamino)pyrimidin-4-yl]-2-methylpyrazolo[1,5-a]pyridin-7-amine
CID 142882675
5-chloro-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-7-amine
CID 10115398
4-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
CID 57444748
4-[2-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylpyrimidin-2-amine
CID 10308898
4-[7-chloro-2-(2-methyl-1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyridin-2-amine
CID 18446626
2-[4-[[3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]amino]butyl]guanidine
CID 10229481
4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropylpyrimidin-2-amine
CID 10110282
3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid
CID 10274363
4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-N-propan-2-ylpyrimidin-2-amine
CID 68515357
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine
CID 10302479

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-(cyclopentylamino)-4-pyridinyl]-3-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine?
The IUPAC name of N-cyclopentyl-2-[2-(cyclopentylamino)-4-pyridinyl]-3-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine (CID 10289087) is N-cyclopentyl-2-[2-(cyclopentylamino)-4-pyridinyl]-3-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for N-cyclopentyl-2-[2-(cyclopentylamino)-4-pyridinyl]-3-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for N-cyclopentyl-2-[2-(cyclopentylamino)-4-pyridinyl]-3-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine is CC(C)Nc1nccc(-c2c(-c3ccnc(NC4CCCC4)c3)nn3c(NC4CCCC4)cccc23)n1.
What is the InChIKey of N-cyclopentyl-2-[2-(cyclopentylamino)-4-pyridinyl]-3-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine?
The InChIKey is GRCKZNQHTWIEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N8/c1-19(2)32-29-31-17-15-23(35-29)27-24-12-7-13-26(34-22-10-5-6-11-22)37(24)36-28(27)20-14-16-30-25(18-20)33-21-8-3-4-9-21/h7,12-19,21-22,34H,3-6,8-11H2,1-2H3,(H,30,33)(H,31,32,35).
What are the key properties of N-cyclopentyl-2-[2-(cyclopentylamino)-4-pyridinyl]-3-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine?
N-cyclopentyl-2-[2-(cyclopentylamino)-4-pyridinyl]-3-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine has a molecular weight of 496.66 g/mol, XLogP of 6.38, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-(cyclopentylamino)-4-pyridinyl]-3-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 10289087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).