4-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine

C23H22ClN5O — CID 57444748

IUPAC4-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
SMILESCOc1ccc(-c2nn3c(Cl)cccc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C23H22ClN5O/c1-30-17-11-9-15(10-12-17)22-21(19-7-4-8-20(24)29(19)28-22)18-13-14-25-23(27-18)26-16-5-2-3-6-16/h4,7-14,16H,2-3,5-6H2,1H3,(H,25,26,27)
InChIKeyQVXFHUXIURSBSR-UHFFFAOYSA-N
MW419.92 g/mol
LogP5.47
Rot. Bonds5

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

4-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine (PubChem CID 57444748) has the molecular formula C23H22ClN5O and a molecular weight of 419.92 g/mol. Its IUPAC name is 4-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
PubChem CID57444748
Molecular FormulaC23H22ClN5O
Molecular Weight419.92 g/mol
Exact Mass419.15
IUPAC Name4-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
SMILESCOc1ccc(-c2nn3c(Cl)cccc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C23H22ClN5O/c1-30-17-11-9-15(10-12-17)22-21(19-7-4-8-20(24)29(19)28-22)18-13-14-25-23(27-18)26-16-5-2-3-6-16/h4,7-14,16H,2-3,5-6H2,1H3,(H,25,26,27)
InChIKeyQVXFHUXIURSBSR-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

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-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine?
The IUPAC name of 4-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine (CID 57444748) is 4-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine.
What is the SMILES notation for 4-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine?
The canonical SMILES for 4-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine is COc1ccc(-c2nn3c(Cl)cccc3c2-c2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of 4-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine?
The InChIKey is QVXFHUXIURSBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O/c1-30-17-11-9-15(10-12-17)22-21(19-7-4-8-20(24)29(19)28-22)18-13-14-25-23(27-18)26-16-5-2-3-6-16/h4,7-14,16H,2-3,5-6H2,1H3,(H,25,26,27).
What are the key properties of 4-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine?
4-[7-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-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine is sourced from PubChem (CID 57444748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).