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

C27H29ClN6 — CID 10205592

IUPAC2-(3-chlorophenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine
SMILESClc1cccc(-c2nn3c(NC4CCCC4)cccc3c2-c2ccnc(NC3CCCC3)n2)c1
InChIInChI=1S/C27H29ClN6/c28-19-8-5-7-18(17-19)26-25(22-15-16-29-27(32-22)31-21-11-3-4-12-21)23-13-6-14-24(34(23)33-26)30-20-9-1-2-10-20/h5-8,13-17,20-21,30H,1-4,9-12H2,(H,29,31,32)
InChIKeyNLNUPJVGCWUSNO-UHFFFAOYSA-N
MW473.02 g/mol
LogP6.82
Rot. Bonds6

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

2-(3-chlorophenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine (PubChem CID 10205592) has the molecular formula C27H29ClN6 and a molecular weight of 473.02 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine
PubChem CID10205592
Molecular FormulaC27H29ClN6
Molecular Weight473.02 g/mol
Exact Mass472.21
IUPAC Name2-(3-chlorophenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine
SMILESClc1cccc(-c2nn3c(NC4CCCC4)cccc3c2-c2ccnc(NC3CCCC3)n2)c1
InChIInChI=1S/C27H29ClN6/c28-19-8-5-7-18(17-19)26-25(22-15-16-29-27(32-22)31-21-11-3-4-12-21)23-13-6-14-24(34(23)33-26)30-20-9-1-2-10-20/h5-8,13-17,20-21,30H,1-4,9-12H2,(H,29,31,32)
InChIKeyNLNUPJVGCWUSNO-UHFFFAOYSA-N
XLogP6.82
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.02
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine (CID 10205592) is 2-(3-chlorophenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine is Clc1cccc(-c2nn3c(NC4CCCC4)cccc3c2-c2ccnc(NC3CCCC3)n2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine?
The InChIKey is NLNUPJVGCWUSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN6/c28-19-8-5-7-18(17-19)26-25(22-15-16-29-27(32-22)31-21-11-3-4-12-21)23-13-6-14-24(34(23)33-26)30-20-9-1-2-10-20/h5-8,13-17,20-21,30H,1-4,9-12H2,(H,29,31,32).
What are the key properties of 2-(3-chlorophenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine?
2-(3-chlorophenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine has a molecular weight of 473.02 g/mol, XLogP of 6.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 10205592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).