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

C23H25FN4O — CID 11372773

IUPAC(E)-1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one
SMILESCN(C)/C=C/C(=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/b15-14+
InChIKeyWGWRAABKDQDZMQ-CCEZHUSRSA-N
MW392.48 g/mol
LogP4.75
Rot. Bonds6

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

(E)-1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one (PubChem CID 11372773) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is (E)-1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one
PubChem CID11372773
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name(E)-1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one
SMILESCN(C)/C=C/C(=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/b15-14+
InChIKeyWGWRAABKDQDZMQ-CCEZHUSRSA-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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Related Compounds

7,8-Dihydro-2-(4-acetylbenzyl)-3-(4-fluorophenylamino)-5,7,7-trimethyl-[2H]-imidazo-[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one
CID 90409046
N-{1-[Amino(oxo)acetyl]pentyl}-2-(3-phenyl-1H-pyrazol-1-yl)nicotinamide
CID 25157358
2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridyl]amino]-4-fluoro-N-methyl-benzamide
CID 56951292
2-(4-Fluorophenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983741
7-(2-Methylamino-5-methylimidazo[1,5-b]pyridazin-7-yl)-1-phenyl-1-heptanone
CID 455581
N-(2-ethylpyrazol-3-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165415146
1-[4-({6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-A]pyrimidin-7-YL}amino)phenyl]ethanone
CID 1430151
4-fluoro-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide
CID 5193716
2-(4-Fluorophenyl)-3-[2-(propan-2-ylamino)-4-pyridinyl]pyrazolo[1,5-a]pyridine-6-carboxamide
CID 11560165
2-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide
CID 44580656
2-[6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide
CID 44580657
3-[(1,3-Diphenylpyrazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one
CID 164609049

Frequently Asked Questions

What is the IUPAC name of (E)-1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one?
The IUPAC name of (E)-1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one (CID 11372773) is (E)-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 (E)-1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one?
The canonical SMILES for (E)-1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one is CN(C)/C=C/C(=O)c1c(-c2ccc(F)cc2)nn2c(NC3CCCC3)cccc12.
What is the InChIKey of (E)-1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one?
The InChIKey is WGWRAABKDQDZMQ-CCEZHUSRSA-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/b15-14+.
What are the key properties of (E)-1-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one?
(E)-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 (E)-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 11372773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).