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

C24H20F4N4O2 — CID 86717945

IUPACN-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C24H20F4N4O2/c1-13-22(24(33)31-20(11-29)14-7-8-18(27)19(28)10-14)32-9-3-6-21(23(32)30-13)34-12-15-16(25)4-2-5-17(15)26/h2-10,20H,11-12,29H2,1H3,(H,31,33)
InChIKeyOKNRNVRMGPROKN-UHFFFAOYSA-N
MW472.44 g/mol
LogP4.21
Rot. Bonds7

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

N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 86717945) has the molecular formula C24H20F4N4O2 and a molecular weight of 472.44 g/mol. Its IUPAC name is N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID86717945
Molecular FormulaC24H20F4N4O2
Molecular Weight472.44 g/mol
Exact Mass472.15
IUPAC NameN-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C24H20F4N4O2/c1-13-22(24(33)31-20(11-29)14-7-8-18(27)19(28)10-14)32-9-3-6-21(23(32)30-13)34-12-15-16(25)4-2-5-17(15)26/h2-10,20H,11-12,29H2,1H3,(H,31,33)
InChIKeyOKNRNVRMGPROKN-UHFFFAOYSA-N
XLogP4.21
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 86717945) is N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(CN)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is OKNRNVRMGPROKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N4O2/c1-13-22(24(33)31-20(11-29)14-7-8-18(27)19(28)10-14)32-9-3-6-21(23(32)30-13)34-12-15-16(25)4-2-5-17(15)26/h2-10,20H,11-12,29H2,1H3,(H,31,33).
What are the key properties of N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 472.44 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86717945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).