3-[4-(3-chloro-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one

C26H22ClFN4O3 — CID 129032243

IUPAC3-[4-(3-chloro-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one
SMILESC=CC(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4cccc(Cl)c4F)cc3)c3cnccc32)C1
InChIInChI=1S/C26H22ClFN4O3/c1-2-24(33)30-14-4-5-18(16-30)32-21-12-13-29-15-22(21)31(26(32)34)17-8-10-19(11-9-17)35-23-7-3-6-20(27)25(23)28/h2-3,6-13,15,18H,1,4-5,14,16H2/t18-/m1/s1
InChIKeyHLUUNMQYFXKFEE-GOSISDBHSA-N
MW492.94 g/mol
LogP5.12
Rot. Bonds5

About 3-[4-(3-chloro-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one

3-[4-(3-chloro-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one (PubChem CID 129032243) has the molecular formula C26H22ClFN4O3 and a molecular weight of 492.94 g/mol. Its IUPAC name is 3-[4-(3-chloro-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[4-(3-chloro-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one
PubChem CID129032243
Molecular FormulaC26H22ClFN4O3
Molecular Weight492.94 g/mol
Exact Mass492.14
IUPAC Name3-[4-(3-chloro-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one
SMILESC=CC(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4cccc(Cl)c4F)cc3)c3cnccc32)C1
InChIInChI=1S/C26H22ClFN4O3/c1-2-24(33)30-14-4-5-18(16-30)32-21-12-13-29-15-22(21)31(26(32)34)17-8-10-19(11-9-17)35-23-7-3-6-20(27)25(23)28/h2-3,6-13,15,18H,1,4-5,14,16H2/t18-/m1/s1
InChIKeyHLUUNMQYFXKFEE-GOSISDBHSA-N
XLogP5.12
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.94
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[4-(3-chloro-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chloro-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[4-(3-chloro-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one (CID 129032243) is 3-[4-(3-chloro-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[4-(3-chloro-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[4-(3-chloro-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one is C=CC(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4cccc(Cl)c4F)cc3)c3cnccc32)C1.
What is the InChIKey of 3-[4-(3-chloro-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is HLUUNMQYFXKFEE-GOSISDBHSA-N. The full InChI is InChI=1S/C26H22ClFN4O3/c1-2-24(33)30-14-4-5-18(16-30)32-21-12-13-29-15-22(21)31(26(32)34)17-8-10-19(11-9-17)35-23-7-3-6-20(27)25(23)28/h2-3,6-13,15,18H,1,4-5,14,16H2/t18-/m1/s1.
What are the key properties of 3-[4-(3-chloro-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one?
3-[4-(3-chloro-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 492.94 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chloro-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 129032243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).