N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide

C19H13ClFN5O2 — CID 166397699

IUPACN-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESO=C(NCc1nc2ccccn2c1Cl)c1ccc(=O)n(-c2ccccc2F)n1
InChIInChI=1S/C19H13ClFN5O2/c20-18-14(23-16-7-3-4-10-25(16)18)11-22-19(28)13-8-9-17(27)26(24-13)15-6-2-1-5-12(15)21/h1-10H,11H2,(H,22,28)
InChIKeyMZKLNCJGCDPDPY-UHFFFAOYSA-N
MW397.80 g/mol
LogP2.60
Rot. Bonds4

About N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide

N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 166397699) has the molecular formula C19H13ClFN5O2 and a molecular weight of 397.80 g/mol. Its IUPAC name is N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
PubChem CID166397699
Molecular FormulaC19H13ClFN5O2
Molecular Weight397.80 g/mol
Exact Mass397.07
IUPAC NameN-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESO=C(NCc1nc2ccccn2c1Cl)c1ccc(=O)n(-c2ccccc2F)n1
InChIInChI=1S/C19H13ClFN5O2/c20-18-14(23-16-7-3-4-10-25(16)18)11-22-19(28)13-8-9-17(27)26(24-13)15-6-2-1-5-12(15)21/h1-10H,11H2,(H,22,28)
InChIKeyMZKLNCJGCDPDPY-UHFFFAOYSA-N
XLogP2.60
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.80
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide with MolForge

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Related Compounds

2-ethyl-2-[[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]methyl]butanoic acid
CID 120533304
7-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]heptanoic acid
CID 120524043
2-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]pentanoic acid
CID 120534639
N-[(1R)-1-(2-chloro-3-fluorophenyl)ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 167473627
N-(5-chloro-1-methylbenzimidazol-2-yl)-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 99635015
3-[ethyl-[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 120516708
1-(2-fluorophenyl)-6-oxo-N-phenyl-N-prop-2-enylpyridazine-3-carboxamide
CID 122133066
N-[(1R)-1-[5-[5-chloro-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 167473502
N-[1-[5-[5-chloro-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 175583268
2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine
CID 59589453
1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 78869937
N-[2-(4-chlorophenyl)sulfanylethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55633633

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide (CID 166397699) is N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide is O=C(NCc1nc2ccccn2c1Cl)c1ccc(=O)n(-c2ccccc2F)n1.
What is the InChIKey of N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is MZKLNCJGCDPDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN5O2/c20-18-14(23-16-7-3-4-10-25(16)18)11-22-19(28)13-8-9-17(27)26(24-13)15-6-2-1-5-12(15)21/h1-10H,11H2,(H,22,28).
What are the key properties of N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide?
N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 397.80 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 166397699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).