1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one

C23H25FN4O — CID 69449281

IUPAC1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one
SMILESCN(C)C=CC(=O)c1c(-c2ccc(F)cc2)nn2c(NC3CCCC3)cccc12
InChIInChI=1S/C23H25FN4O/c1-27(2)15-14-20(29)22-19-8-5-9-21(25-18-6-3-4-7-18)28(19)26-23(22)16-10-12-17(24)13-11-16/h5,8-15,18,25H,3-4,6-7H2,1-2H3
InChIKeyWGWRAABKDQDZMQ-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.75
Rot. Bonds6

About 1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one

1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one (PubChem CID 69449281) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one.

Molecular Properties

Compound Name1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one
PubChem CID69449281
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one
SMILESCN(C)C=CC(=O)c1c(-c2ccc(F)cc2)nn2c(NC3CCCC3)cccc12
InChIInChI=1S/C23H25FN4O/c1-27(2)15-14-20(29)22-19-8-5-9-21(25-18-6-3-4-7-18)28(19)26-23(22)16-10-12-17(24)13-11-16/h5,8-15,18,25H,3-4,6-7H2,1-2H3
InChIKeyWGWRAABKDQDZMQ-UHFFFAOYSA-N
XLogP4.75
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one?
The IUPAC name of 1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one (CID 69449281) is 1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one.
What is the SMILES notation for 1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one?
The canonical SMILES for 1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one is CN(C)C=CC(=O)c1c(-c2ccc(F)cc2)nn2c(NC3CCCC3)cccc12.
What is the InChIKey of 1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one?
The InChIKey is WGWRAABKDQDZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-27(2)15-14-20(29)22-19-8-5-9-21(25-18-6-3-4-7-18)28(19)26-23(22)16-10-12-17(24)13-11-16/h5,8-15,18,25H,3-4,6-7H2,1-2H3.
What are the key properties of 1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one?
1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one has a molecular weight of 392.48 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one is sourced from PubChem (CID 69449281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).