N-[[2-(1,1-difluorobutyl)-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]methyl]-N-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide

C25H26F2N6O3 — CID 134277420

IUPACN-[[2-(1,1-difluorobutyl)-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]methyl]-N-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCCCC(F)(F)c1cc(-c2ccnc3[nH]c(=O)[nH]c23)ccc1CN(C)C(=O)c1nc(C2(C)CC2)no1
InChIInChI=1S/C25H26F2N6O3/c1-4-8-25(26,27)17-12-14(16-7-11-28-19-18(16)29-23(35)30-19)5-6-15(17)13-33(3)21(34)20-31-22(32-36-20)24(2)9-10-24/h5-7,11-12H,4,8-10,13H2,1-3H3,(H2,28,29,30,35)
InChIKeyZLTJHZGZFADTKZ-UHFFFAOYSA-N
MW496.52 g/mol
LogP4.52
Rot. Bonds8

About N-[[2-(1,1-difluorobutyl)-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]methyl]-N-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide

N-[[2-(1,1-difluorobutyl)-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]methyl]-N-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 134277420) has the molecular formula C25H26F2N6O3 and a molecular weight of 496.52 g/mol. Its IUPAC name is N-[[2-(1,1-difluorobutyl)-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]methyl]-N-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(1,1-difluorobutyl)-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]methyl]-N-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID134277420
Molecular FormulaC25H26F2N6O3
Molecular Weight496.52 g/mol
Exact Mass496.20
IUPAC NameN-[[2-(1,1-difluorobutyl)-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]methyl]-N-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCCCC(F)(F)c1cc(-c2ccnc3[nH]c(=O)[nH]c23)ccc1CN(C)C(=O)c1nc(C2(C)CC2)no1
InChIInChI=1S/C25H26F2N6O3/c1-4-8-25(26,27)17-12-14(16-7-11-28-19-18(16)29-23(35)30-19)5-6-15(17)13-33(3)21(34)20-31-22(32-36-20)24(2)9-10-24/h5-7,11-12H,4,8-10,13H2,1-3H3,(H2,28,29,30,35)
InChIKeyZLTJHZGZFADTKZ-UHFFFAOYSA-N
XLogP4.52
TPSA120.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.52
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,1-difluorobutyl)-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]methyl]-N-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[[2-(1,1-difluorobutyl)-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]methyl]-N-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide (CID 134277420) is N-[[2-(1,1-difluorobutyl)-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]methyl]-N-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[[2-(1,1-difluorobutyl)-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]methyl]-N-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[[2-(1,1-difluorobutyl)-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]methyl]-N-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide is CCCC(F)(F)c1cc(-c2ccnc3[nH]c(=O)[nH]c23)ccc1CN(C)C(=O)c1nc(C2(C)CC2)no1.
What is the InChIKey of N-[[2-(1,1-difluorobutyl)-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]methyl]-N-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is ZLTJHZGZFADTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N6O3/c1-4-8-25(26,27)17-12-14(16-7-11-28-19-18(16)29-23(35)30-19)5-6-15(17)13-33(3)21(34)20-31-22(32-36-20)24(2)9-10-24/h5-7,11-12H,4,8-10,13H2,1-3H3,(H2,28,29,30,35).
What are the key properties of N-[[2-(1,1-difluorobutyl)-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]methyl]-N-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide?
N-[[2-(1,1-difluorobutyl)-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]methyl]-N-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 496.52 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,1-difluorobutyl)-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]methyl]-N-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 134277420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).