N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C24H19F4N3O3 — CID 90115443

IUPACN-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(CO)c1ccc(F)c(F)c1
InChIInChI=1S/C24H19F4N3O3/c1-13-22(24(33)30-20(11-32)14-7-8-18(27)19(28)10-14)31-9-3-6-21(23(31)29-13)34-12-15-16(25)4-2-5-17(15)26/h2-10,20,32H,11-12H2,1H3,(H,30,33)
InChIKeyPOJXGTQFTKCOBT-UHFFFAOYSA-N
MW473.43 g/mol
LogP4.24
Rot. Bonds7

About N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90115443) has the molecular formula C24H19F4N3O3 and a molecular weight of 473.43 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90115443
Molecular FormulaC24H19F4N3O3
Molecular Weight473.43 g/mol
Exact Mass473.14
IUPAC NameN-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(CO)c1ccc(F)c(F)c1
InChIInChI=1S/C24H19F4N3O3/c1-13-22(24(33)30-20(11-32)14-7-8-18(27)19(28)10-14)31-9-3-6-21(23(31)29-13)34-12-15-16(25)4-2-5-17(15)26/h2-10,20,32H,11-12H2,1H3,(H,30,33)
InChIKeyPOJXGTQFTKCOBT-UHFFFAOYSA-N
XLogP4.24
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.43
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 90115443) is N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(CO)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is POJXGTQFTKCOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N3O3/c1-13-22(24(33)30-20(11-32)14-7-8-18(27)19(28)10-14)31-9-3-6-21(23(31)29-13)34-12-15-16(25)4-2-5-17(15)26/h2-10,20,32H,11-12H2,1H3,(H,30,33).
What are the key properties of N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 473.43 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90115443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).