N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-cyclopropyl-6-oxopyridazine-3-carboxamide

C20H16ClFN4O2 — CID 139521596

IUPACN-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-cyclopropyl-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cc2cc(F)cc(Cl)c2)cn1)c1ccc(=O)n(C2CC2)n1
InChIInChI=1S/C20H16ClFN4O2/c21-14-8-13(9-15(22)10-14)7-12-1-5-18(23-11-12)24-20(28)17-4-6-19(27)26(25-17)16-2-3-16/h1,4-6,8-11,16H,2-3,7H2,(H,23,24,28)
InChIKeyAXKIRODZLYJQCC-UHFFFAOYSA-N
MW398.83 g/mol
LogP3.61
Rot. Bonds5

About N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-cyclopropyl-6-oxopyridazine-3-carboxamide

N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-cyclopropyl-6-oxopyridazine-3-carboxamide (PubChem CID 139521596) has the molecular formula C20H16ClFN4O2 and a molecular weight of 398.83 g/mol. Its IUPAC name is N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-cyclopropyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-cyclopropyl-6-oxopyridazine-3-carboxamide
PubChem CID139521596
Molecular FormulaC20H16ClFN4O2
Molecular Weight398.83 g/mol
Exact Mass398.09
IUPAC NameN-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-cyclopropyl-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cc2cc(F)cc(Cl)c2)cn1)c1ccc(=O)n(C2CC2)n1
InChIInChI=1S/C20H16ClFN4O2/c21-14-8-13(9-15(22)10-14)7-12-1-5-18(23-11-12)24-20(28)17-4-6-19(27)26(25-17)16-2-3-16/h1,4-6,8-11,16H,2-3,7H2,(H,23,24,28)
InChIKeyAXKIRODZLYJQCC-UHFFFAOYSA-N
XLogP3.61
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.83
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-cyclopropyl-6-oxopyridazine-3-carboxamide 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 N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-cyclopropyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-cyclopropyl-6-oxopyridazine-3-carboxamide (CID 139521596) is N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-cyclopropyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-cyclopropyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-cyclopropyl-6-oxopyridazine-3-carboxamide is O=C(Nc1ccc(Cc2cc(F)cc(Cl)c2)cn1)c1ccc(=O)n(C2CC2)n1.
What is the InChIKey of N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-cyclopropyl-6-oxopyridazine-3-carboxamide?
The InChIKey is AXKIRODZLYJQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O2/c21-14-8-13(9-15(22)10-14)7-12-1-5-18(23-11-12)24-20(28)17-4-6-19(27)26(25-17)16-2-3-16/h1,4-6,8-11,16H,2-3,7H2,(H,23,24,28).
What are the key properties of N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-cyclopropyl-6-oxopyridazine-3-carboxamide?
N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-cyclopropyl-6-oxopyridazine-3-carboxamide has a molecular weight of 398.83 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-cyclopropyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 139521596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).