4-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentyl-5,6-dimethylpyrimidin-2-amine

C25H26ClN5 — CID 58765485

IUPAC4-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentyl-5,6-dimethylpyrimidin-2-amine
SMILESCc1cccc(-c2nn3c(Cl)cccc3c2-c2nc(NC3CCCC3)nc(C)c2C)c1
InChIInChI=1S/C25H26ClN5/c1-15-8-6-9-18(14-15)24-22(20-12-7-13-21(26)31(20)30-24)23-16(2)17(3)27-25(29-23)28-19-10-4-5-11-19/h6-9,12-14,19H,4-5,10-11H2,1-3H3,(H,27,28,29)
InChIKeyOMODOIMGTYNSSP-UHFFFAOYSA-N
MW431.97 g/mol
LogP6.39
Rot. Bonds4

About 4-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentyl-5,6-dimethylpyrimidin-2-amine

4-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentyl-5,6-dimethylpyrimidin-2-amine (PubChem CID 58765485) has the molecular formula C25H26ClN5 and a molecular weight of 431.97 g/mol. Its IUPAC name is 4-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentyl-5,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentyl-5,6-dimethylpyrimidin-2-amine
PubChem CID58765485
Molecular FormulaC25H26ClN5
Molecular Weight431.97 g/mol
Exact Mass431.19
IUPAC Name4-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentyl-5,6-dimethylpyrimidin-2-amine
SMILESCc1cccc(-c2nn3c(Cl)cccc3c2-c2nc(NC3CCCC3)nc(C)c2C)c1
InChIInChI=1S/C25H26ClN5/c1-15-8-6-9-18(14-15)24-22(20-12-7-13-21(26)31(20)30-24)23-16(2)17(3)27-25(29-23)28-19-10-4-5-11-19/h6-9,12-14,19H,4-5,10-11H2,1-3H3,(H,27,28,29)
InChIKeyOMODOIMGTYNSSP-UHFFFAOYSA-N
XLogP6.39
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.97
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-7-amine
CID 10115398
4-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
CID 57444748
4-[7-chloro-2-(2-methyl-1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyridin-2-amine
CID 18446626
2-(3-chlorophenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine
CID 10205592
4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropylpyrimidin-2-amine
CID 10110282
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-amine
CID 10298784
N-cyclohexyl-6-methyl-2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 809077
1-[3-[2-(cyclopentylamino)-6-phenylpyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]ethane-1,2-diamine
CID 69449301
N-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 119027837
N-cyclopentyl-2-[2-(cyclopentylamino)-4-pyridinyl]-3-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine
CID 10289087
N-cycloheptyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880484
(E)-1-[2-(3-bromo-4-chlorophenyl)-7-(cyclopentylamino)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one
CID 57494740

Frequently Asked Questions

What is the IUPAC name of 4-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentyl-5,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentyl-5,6-dimethylpyrimidin-2-amine (CID 58765485) is 4-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentyl-5,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentyl-5,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentyl-5,6-dimethylpyrimidin-2-amine is Cc1cccc(-c2nn3c(Cl)cccc3c2-c2nc(NC3CCCC3)nc(C)c2C)c1.
What is the InChIKey of 4-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentyl-5,6-dimethylpyrimidin-2-amine?
The InChIKey is OMODOIMGTYNSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5/c1-15-8-6-9-18(14-15)24-22(20-12-7-13-21(26)31(20)30-24)23-16(2)17(3)27-25(29-23)28-19-10-4-5-11-19/h6-9,12-14,19H,4-5,10-11H2,1-3H3,(H,27,28,29).
What are the key properties of 4-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentyl-5,6-dimethylpyrimidin-2-amine?
4-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentyl-5,6-dimethylpyrimidin-2-amine has a molecular weight of 431.97 g/mol, XLogP of 6.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentyl-5,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 58765485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).