N-(2-amino-2-methylpropyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C21H24F2N4O2 — CID 86717963

IUPACN-(2-amino-2-methylpropyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NCC(C)(C)N)n2c1
InChIInChI=1S/C21H24F2N4O2/c1-12-8-17(29-10-14-15(22)6-5-7-16(14)23)19-26-13(2)18(27(19)9-12)20(28)25-11-21(3,4)24/h5-9H,10-11,24H2,1-4H3,(H,25,28)
InChIKeyPEZGHKWGVBGRHL-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.28
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-(2-amino-2-methylpropyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 86717963) has the molecular formula C21H24F2N4O2 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID86717963
Molecular FormulaC21H24F2N4O2
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC NameN-(2-amino-2-methylpropyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NCC(C)(C)N)n2c1
InChIInChI=1S/C21H24F2N4O2/c1-12-8-17(29-10-14-15(22)6-5-7-16(14)23)19-26-13(2)18(27(19)9-12)20(28)25-11-21(3,4)24/h5-9H,10-11,24H2,1-4H3,(H,25,28)
InChIKeyPEZGHKWGVBGRHL-UHFFFAOYSA-N
XLogP3.28
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 86717963) is N-(2-amino-2-methylpropyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NCC(C)(C)N)n2c1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is PEZGHKWGVBGRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O2/c1-12-8-17(29-10-14-15(22)6-5-7-16(14)23)19-26-13(2)18(27(19)9-12)20(28)25-11-21(3,4)24/h5-9H,10-11,24H2,1-4H3,(H,25,28).
What are the key properties of N-(2-amino-2-methylpropyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-(2-amino-2-methylpropyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86717963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).