[2-[[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-(3,4-difluorophenyl)ethyl]carbamic acid

C25H20ClF3N4O4 — CID 90114317

IUPAC[2-[[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-(3,4-difluorophenyl)ethyl]carbamic acid
SMILESCc1nc2c(OCc3c(F)cccc3Cl)cccn2c1C(=O)NC(CNC(=O)O)c1ccc(F)c(F)c1
InChIInChI=1S/C25H20ClF3N4O4/c1-13-22(24(34)32-20(11-30-25(35)36)14-7-8-18(28)19(29)10-14)33-9-3-6-21(23(33)31-13)37-12-15-16(26)4-2-5-17(15)27/h2-10,20,30H,11-12H2,1H3,(H,32,34)(H,35,36)
InChIKeyHGWDXOZDYRIBAB-UHFFFAOYSA-N
MW532.91 g/mol
LogP5.03
Rot. Bonds8

About [2-[[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-(3,4-difluorophenyl)ethyl]carbamic acid

[2-[[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-(3,4-difluorophenyl)ethyl]carbamic acid (PubChem CID 90114317) has the molecular formula C25H20ClF3N4O4 and a molecular weight of 532.91 g/mol. Its IUPAC name is [2-[[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-(3,4-difluorophenyl)ethyl]carbamic acid.

Molecular Properties

Compound Name[2-[[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-(3,4-difluorophenyl)ethyl]carbamic acid
PubChem CID90114317
Molecular FormulaC25H20ClF3N4O4
Molecular Weight532.91 g/mol
Exact Mass532.11
IUPAC Name[2-[[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-(3,4-difluorophenyl)ethyl]carbamic acid
SMILESCc1nc2c(OCc3c(F)cccc3Cl)cccn2c1C(=O)NC(CNC(=O)O)c1ccc(F)c(F)c1
InChIInChI=1S/C25H20ClF3N4O4/c1-13-22(24(34)32-20(11-30-25(35)36)14-7-8-18(28)19(29)10-14)33-9-3-6-21(23(33)31-13)37-12-15-16(26)4-2-5-17(15)27/h2-10,20,30H,11-12H2,1H3,(H,32,34)(H,35,36)
InChIKeyHGWDXOZDYRIBAB-UHFFFAOYSA-N
XLogP5.03
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.91
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-(3,4-difluorophenyl)ethyl]carbamic acid?
The IUPAC name of [2-[[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-(3,4-difluorophenyl)ethyl]carbamic acid (CID 90114317) is [2-[[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-(3,4-difluorophenyl)ethyl]carbamic acid.
What is the SMILES notation for [2-[[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-(3,4-difluorophenyl)ethyl]carbamic acid?
The canonical SMILES for [2-[[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-(3,4-difluorophenyl)ethyl]carbamic acid is Cc1nc2c(OCc3c(F)cccc3Cl)cccn2c1C(=O)NC(CNC(=O)O)c1ccc(F)c(F)c1.
What is the InChIKey of [2-[[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-(3,4-difluorophenyl)ethyl]carbamic acid?
The InChIKey is HGWDXOZDYRIBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF3N4O4/c1-13-22(24(34)32-20(11-30-25(35)36)14-7-8-18(28)19(29)10-14)33-9-3-6-21(23(33)31-13)37-12-15-16(26)4-2-5-17(15)27/h2-10,20,30H,11-12H2,1H3,(H,32,34)(H,35,36).
What are the key properties of [2-[[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-(3,4-difluorophenyl)ethyl]carbamic acid?
[2-[[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-(3,4-difluorophenyl)ethyl]carbamic acid has a molecular weight of 532.91 g/mol, XLogP of 5.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-(3,4-difluorophenyl)ethyl]carbamic acid is sourced from PubChem (CID 90114317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).