4-[5-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine

C23H22ClN5O — CID 10223859

IUPAC4-[5-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
SMILESCOc1ccc(-c2nn3ccc(Cl)cc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C23H22ClN5O/c1-30-18-8-6-15(7-9-18)22-21(20-14-16(24)11-13-29(20)28-22)19-10-12-25-23(27-19)26-17-4-2-3-5-17/h6-14,17H,2-5H2,1H3,(H,25,26,27)
InChIKeyWBUORVQAXRFRCG-UHFFFAOYSA-N
MW419.92 g/mol
LogP5.47
Rot. Bonds5

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

4-[5-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine (PubChem CID 10223859) has the molecular formula C23H22ClN5O and a molecular weight of 419.92 g/mol. Its IUPAC name is 4-[5-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
PubChem CID10223859
Molecular FormulaC23H22ClN5O
Molecular Weight419.92 g/mol
Exact Mass419.15
IUPAC Name4-[5-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
SMILESCOc1ccc(-c2nn3ccc(Cl)cc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C23H22ClN5O/c1-30-18-8-6-15(7-9-18)22-21(20-14-16(24)11-13-29(20)28-22)19-10-12-25-23(27-19)26-17-4-2-3-5-17/h6-14,17H,2-5H2,1H3,(H,25,26,27)
InChIKeyWBUORVQAXRFRCG-UHFFFAOYSA-N
XLogP5.47
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.92
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine?
The IUPAC name of 4-[5-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine (CID 10223859) is 4-[5-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine?
The canonical SMILES for 4-[5-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine is COc1ccc(-c2nn3ccc(Cl)cc3c2-c2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of 4-[5-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine?
The InChIKey is WBUORVQAXRFRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O/c1-30-18-8-6-15(7-9-18)22-21(20-14-16(24)11-13-29(20)28-22)19-10-12-25-23(27-19)26-17-4-2-3-5-17/h6-14,17H,2-5H2,1H3,(H,25,26,27).
What are the key properties of 4-[5-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine?
4-[5-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine has a molecular weight of 419.92 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine is sourced from PubChem (CID 10223859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).