4-[7-chloro-2-(2-methyl-1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyridin-2-amine

C21H20ClN5S — CID 18446626

IUPAC4-[7-chloro-2-(2-methyl-1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyridin-2-amine
SMILESCc1nc(-c2nn3c(Cl)cccc3c2-c2ccnc(NC3CCCC3)c2)cs1
InChIInChI=1S/C21H20ClN5S/c1-13-24-16(12-28-13)21-20(17-7-4-8-18(22)27(17)26-21)14-9-10-23-19(11-14)25-15-5-2-3-6-15/h4,7-12,15H,2-3,5-6H2,1H3,(H,23,25)
InChIKeyYTTSIXMTJLHQMM-UHFFFAOYSA-N
MW409.95 g/mol
LogP5.84
Rot. Bonds4

About 4-[7-chloro-2-(2-methyl-1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyridin-2-amine

4-[7-chloro-2-(2-methyl-1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyridin-2-amine (PubChem CID 18446626) has the molecular formula C21H20ClN5S and a molecular weight of 409.95 g/mol. Its IUPAC name is 4-[7-chloro-2-(2-methyl-1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyridin-2-amine.

Molecular Properties

Compound Name4-[7-chloro-2-(2-methyl-1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyridin-2-amine
PubChem CID18446626
Molecular FormulaC21H20ClN5S
Molecular Weight409.95 g/mol
Exact Mass409.11
IUPAC Name4-[7-chloro-2-(2-methyl-1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyridin-2-amine
SMILESCc1nc(-c2nn3c(Cl)cccc3c2-c2ccnc(NC3CCCC3)c2)cs1
InChIInChI=1S/C21H20ClN5S/c1-13-24-16(12-28-13)21-20(17-7-4-8-18(22)27(17)26-21)14-9-10-23-19(11-14)25-15-5-2-3-6-15/h4,7-12,15H,2-3,5-6H2,1H3,(H,23,25)
InChIKeyYTTSIXMTJLHQMM-UHFFFAOYSA-N
XLogP5.84
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.95
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[7-chloro-2-(2-methyl-1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyridin-2-amine?
The IUPAC name of 4-[7-chloro-2-(2-methyl-1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyridin-2-amine (CID 18446626) is 4-[7-chloro-2-(2-methyl-1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyridin-2-amine.
What is the SMILES notation for 4-[7-chloro-2-(2-methyl-1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyridin-2-amine?
The canonical SMILES for 4-[7-chloro-2-(2-methyl-1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyridin-2-amine is Cc1nc(-c2nn3c(Cl)cccc3c2-c2ccnc(NC3CCCC3)c2)cs1.
What is the InChIKey of 4-[7-chloro-2-(2-methyl-1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyridin-2-amine?
The InChIKey is YTTSIXMTJLHQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5S/c1-13-24-16(12-28-13)21-20(17-7-4-8-18(22)27(17)26-21)14-9-10-23-19(11-14)25-15-5-2-3-6-15/h4,7-12,15H,2-3,5-6H2,1H3,(H,23,25).
What are the key properties of 4-[7-chloro-2-(2-methyl-1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyridin-2-amine?
4-[7-chloro-2-(2-methyl-1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyridin-2-amine has a molecular weight of 409.95 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-chloro-2-(2-methyl-1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyridin-2-amine is sourced from PubChem (CID 18446626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).