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

C20H19ClF2N4O4 — CID 90113998

IUPAC2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propylcarbamic acid
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NC(C)CNC(=O)O
InChIInChI=1S/C20H19ClF2N4O4/c1-10(7-24-20(29)30)25-19(28)17-11(2)26-18-16(6-12(21)8-27(17)18)31-9-13-14(22)4-3-5-15(13)23/h3-6,8,10,24H,7,9H2,1-2H3,(H,25,28)(H,29,30)
InChIKeyNJVCYFGBKRGJTP-UHFFFAOYSA-N
MW452.85 g/mol
LogP3.54
Rot. Bonds7

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

2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propylcarbamic acid (PubChem CID 90113998) has the molecular formula C20H19ClF2N4O4 and a molecular weight of 452.85 g/mol. Its IUPAC name is 2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propylcarbamic acid.

Molecular Properties

Compound Name2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propylcarbamic acid
PubChem CID90113998
Molecular FormulaC20H19ClF2N4O4
Molecular Weight452.85 g/mol
Exact Mass452.11
IUPAC Name2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propylcarbamic acid
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NC(C)CNC(=O)O
InChIInChI=1S/C20H19ClF2N4O4/c1-10(7-24-20(29)30)25-19(28)17-11(2)26-18-16(6-12(21)8-27(17)18)31-9-13-14(22)4-3-5-15(13)23/h3-6,8,10,24H,7,9H2,1-2H3,(H,25,28)(H,29,30)
InChIKeyNJVCYFGBKRGJTP-UHFFFAOYSA-N
XLogP3.54
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.85
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propylcarbamic acid?
The IUPAC name of 2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propylcarbamic acid (CID 90113998) is 2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propylcarbamic acid.
What is the SMILES notation for 2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propylcarbamic acid?
The canonical SMILES for 2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propylcarbamic acid is Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NC(C)CNC(=O)O.
What is the InChIKey of 2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propylcarbamic acid?
The InChIKey is NJVCYFGBKRGJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N4O4/c1-10(7-24-20(29)30)25-19(28)17-11(2)26-18-16(6-12(21)8-27(17)18)31-9-13-14(22)4-3-5-15(13)23/h3-6,8,10,24H,7,9H2,1-2H3,(H,25,28)(H,29,30).
What are the key properties of 2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propylcarbamic acid?
2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propylcarbamic acid has a molecular weight of 452.85 g/mol, XLogP of 3.54, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propylcarbamic acid is sourced from PubChem (CID 90113998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).