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

C30H36N6OS — CID 10119192

IUPACN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-5-amine
SMILESCCSc1cc(NC2CCCC2)cc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(OC)cc3)nn12
InChIInChI=1S/C30H36N6OS/c1-3-38-27-19-23(32-21-8-4-5-9-21)18-26-28(25-16-17-31-30(34-25)33-22-10-6-7-11-22)29(35-36(26)27)20-12-14-24(37-2)15-13-20/h12-19,21-22,32H,3-11H2,1-2H3,(H,31,33,34)
InChIKeyNUNVURGNVQIZTL-UHFFFAOYSA-N
MW528.73 g/mol
LogP7.29
Rot. Bonds9

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

N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-5-amine (PubChem CID 10119192) has the molecular formula C30H36N6OS and a molecular weight of 528.73 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-5-amine
PubChem CID10119192
Molecular FormulaC30H36N6OS
Molecular Weight528.73 g/mol
Exact Mass528.27
IUPAC NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-5-amine
SMILESCCSc1cc(NC2CCCC2)cc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(OC)cc3)nn12
InChIInChI=1S/C30H36N6OS/c1-3-38-27-19-23(32-21-8-4-5-9-21)18-26-28(25-16-17-31-30(34-25)33-22-10-6-7-11-22)29(35-36(26)27)20-12-14-24(37-2)15-13-20/h12-19,21-22,32H,3-11H2,1-2H3,(H,31,33,34)
InChIKeyNUNVURGNVQIZTL-UHFFFAOYSA-N
XLogP7.29
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.73
LogP ≤ 57.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-5-amine (CID 10119192) is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-5-amine is CCSc1cc(NC2CCCC2)cc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(OC)cc3)nn12.
What is the InChIKey of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-5-amine?
The InChIKey is NUNVURGNVQIZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6OS/c1-3-38-27-19-23(32-21-8-4-5-9-21)18-26-28(25-16-17-31-30(34-25)33-22-10-6-7-11-22)29(35-36(26)27)20-12-14-24(37-2)15-13-20/h12-19,21-22,32H,3-11H2,1-2H3,(H,31,33,34).
What are the key properties of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-5-amine?
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-5-amine has a molecular weight of 528.73 g/mol, XLogP of 7.29, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 10119192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).