1-[4-[7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]pyridin-4-one

C25H22ClN5O2 — CID 134521334

IUPAC1-[4-[7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]pyridin-4-one
SMILESC=CC(=O)N1CCCC(n2nc(-c3ccc(-n4ccc(=O)cc4)cc3)c3cncc(Cl)c32)C1
InChIInChI=1S/C25H22ClN5O2/c1-2-23(33)30-11-3-4-19(16-30)31-25-21(14-27-15-22(25)26)24(28-31)17-5-7-18(8-6-17)29-12-9-20(32)10-13-29/h2,5-10,12-15,19H,1,3-4,11,16H2
InChIKeyHBZPCFIZBHUSPW-UHFFFAOYSA-N
MW459.94 g/mol
LogP4.25
Rot. Bonds4

About 1-[4-[7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]pyridin-4-one

1-[4-[7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]pyridin-4-one (PubChem CID 134521334) has the molecular formula C25H22ClN5O2 and a molecular weight of 459.94 g/mol. Its IUPAC name is 1-[4-[7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]pyridin-4-one.

Molecular Properties

Compound Name1-[4-[7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]pyridin-4-one
PubChem CID134521334
Molecular FormulaC25H22ClN5O2
Molecular Weight459.94 g/mol
Exact Mass459.15
IUPAC Name1-[4-[7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]pyridin-4-one
SMILESC=CC(=O)N1CCCC(n2nc(-c3ccc(-n4ccc(=O)cc4)cc3)c3cncc(Cl)c32)C1
InChIInChI=1S/C25H22ClN5O2/c1-2-23(33)30-11-3-4-19(16-30)31-25-21(14-27-15-22(25)26)24(28-31)17-5-7-18(8-6-17)29-12-9-20(32)10-13-29/h2,5-10,12-15,19H,1,3-4,11,16H2
InChIKeyHBZPCFIZBHUSPW-UHFFFAOYSA-N
XLogP4.25
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.94
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[4-[7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[7-chloro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]pyrimidin-2-yl]-4-oxopyridine-3-carbonitrile
CID 134521375
5-[7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidine-2-carboxamide
CID 134521744
1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-propan-2-yloxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 130247993
1-[3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-hydroxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 130247909
1-[(3R)-3-[3-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 139465267
4-[4-[7-fluoro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile
CID 134521449
4-amino-3-[2-(4-oxo-1-pyridinyl)pyrimidin-5-yl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-7-carboxamide
CID 134521377
4-[7-fluoro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide
CID 134521394
1-[3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-(oxolan-3-yloxy)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 146616152
1-[(3R)-3-[7-(2-aminoethoxy)-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 139465274
4-[7-cyano-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-(6-fluoro-2-pyridinyl)benzamide
CID 134521496
4-[4-[4-amino-7-chloro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile
CID 134521416

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]pyridin-4-one?
The IUPAC name of 1-[4-[7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]pyridin-4-one (CID 134521334) is 1-[4-[7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]pyridin-4-one.
What is the SMILES notation for 1-[4-[7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]pyridin-4-one?
The canonical SMILES for 1-[4-[7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]pyridin-4-one is C=CC(=O)N1CCCC(n2nc(-c3ccc(-n4ccc(=O)cc4)cc3)c3cncc(Cl)c32)C1.
What is the InChIKey of 1-[4-[7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]pyridin-4-one?
The InChIKey is HBZPCFIZBHUSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O2/c1-2-23(33)30-11-3-4-19(16-30)31-25-21(14-27-15-22(25)26)24(28-31)17-5-7-18(8-6-17)29-12-9-20(32)10-13-29/h2,5-10,12-15,19H,1,3-4,11,16H2.
What are the key properties of 1-[4-[7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]pyridin-4-one?
1-[4-[7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]pyridin-4-one has a molecular weight of 459.94 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]pyridin-4-one is sourced from PubChem (CID 134521334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).