N-(2-aminoethyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C18H17ClF2N4O2 — CID 90113984

IUPACN-(2-aminoethyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCCN
InChIInChI=1S/C18H17ClF2N4O2/c1-10-16(18(26)23-6-5-22)25-8-11(19)7-15(17(25)24-10)27-9-12-13(20)3-2-4-14(12)21/h2-4,7-8H,5-6,9,22H2,1H3,(H,23,26)
InChIKeyWQDJVGZUYDEOML-UHFFFAOYSA-N
MW394.81 g/mol
LogP2.84
Rot. Bonds6

About N-(2-aminoethyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-(2-aminoethyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90113984) has the molecular formula C18H17ClF2N4O2 and a molecular weight of 394.81 g/mol. Its IUPAC name is N-(2-aminoethyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90113984
Molecular FormulaC18H17ClF2N4O2
Molecular Weight394.81 g/mol
Exact Mass394.10
IUPAC NameN-(2-aminoethyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCCN
InChIInChI=1S/C18H17ClF2N4O2/c1-10-16(18(26)23-6-5-22)25-8-11(19)7-15(17(25)24-10)27-9-12-13(20)3-2-4-14(12)21/h2-4,7-8H,5-6,9,22H2,1H3,(H,23,26)
InChIKeyWQDJVGZUYDEOML-UHFFFAOYSA-N
XLogP2.84
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.81
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 90113984) is N-(2-aminoethyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is WQDJVGZUYDEOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N4O2/c1-10-16(18(26)23-6-5-22)25-8-11(19)7-15(17(25)24-10)27-9-12-13(20)3-2-4-14(12)21/h2-4,7-8H,5-6,9,22H2,1H3,(H,23,26).
What are the key properties of N-(2-aminoethyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-(2-aminoethyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 394.81 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90113984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).