N-(5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)pyridin-2-yl)-2,2-difluoroacetamide

C19H13F4N7O2 — CID 162722574

IUPACN-[5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]-2-pyridinyl]-2,2-difluoroacetamide
SMILESC1=CC(=NC=C1C2=NN=C(O2)C(F)F)CN3C=C(N=C3)C4=CN=C(C=C4)NC(=O)C(F)F
InChIInChI=1S/C19H13F4N7O2/c20-15(21)17(31)27-14-4-2-10(5-25-14)13-8-30(9-26-13)7-12-3-1-11(6-24-12)18-28-29-19(32-18)16(22)23/h1-6,8-9,15-16H,7H2,(H,25,27,31)
InChIKeyBKDOPIOHWAZGIP-UHFFFAOYSA-N
MW447.30 g/mol
LogP1.70
Rot. Bonds7

About N-(5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)pyridin-2-yl)-2,2-difluoroacetamide

N-(5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)pyridin-2-yl)-2,2-difluoroacetamide (PubChem CID 162722574) has the molecular formula C19H13F4N7O2 and a molecular weight of 447.30 g/mol. Its IUPAC name is N-[5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]-2-pyridinyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)pyridin-2-yl)-2,2-difluoroacetamide
PubChem CID162722574
Molecular FormulaC19H13F4N7O2
Molecular Weight447.30 g/mol
Exact Mass447.11
IUPAC NameN-[5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]-2-pyridinyl]-2,2-difluoroacetamide
SMILESC1=CC(=NC=C1C2=NN=C(O2)C(F)F)CN3C=C(N=C3)C4=CN=C(C=C4)NC(=O)C(F)F
InChIInChI=1S/C19H13F4N7O2/c20-15(21)17(31)27-14-4-2-10(5-25-14)13-8-30(9-26-13)7-12-3-1-11(6-24-12)18-28-29-19(32-18)16(22)23/h1-6,8-9,15-16H,7H2,(H,25,27,31)
InChIKeyBKDOPIOHWAZGIP-UHFFFAOYSA-N
XLogP1.70
TPSA112.00 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms32
Complexity634

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-(5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)pyridin-2-yl)-2,2-difluoroacetamide with MolForge

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Related Compounds

N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)piperidin-4-yl)-1H-imidazole-5-carboxamide
CID 134612039
N-Tert-Butyl-1-(1-{5-[5-(Trifluoromethyl)-1,3,4-Oxadiazol-2-Yl]pyridin-2-Yl}piperidin-4-Yl)-1h-Imidazole-5-Carboxamide
CID 121487936
3-(cyclopropylmethyl)-7-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]imidazo[4,5-b]pyridin-5-amine
CID 118288357
2-[1-(Oxan-4-ylmethyl)piperidin-4-yl]-5-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)-1,3,4-oxadiazole
CID 145966243
2-[1-(3-Methoxypropyl)piperidin-4-yl]-5-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)-1,3,4-oxadiazole
CID 145968234
1-[5-[7-(5-Methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 59320979
5-[1-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162721876
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)-1-methyl-1H-benzo[d]imidazol-2-amine
CID 162721925
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162721935
6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-methylquinolin-2-amine
CID 162722000
N-(3-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)phenyl)morpholine-4-carboxamide
CID 162722023
2-(Difluoromethyl)-5-[6-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162722076

Frequently Asked Questions

What is the IUPAC name of N-(5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)pyridin-2-yl)-2,2-difluoroacetamide?
The IUPAC name of N-(5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)pyridin-2-yl)-2,2-difluoroacetamide (CID 162722574) is N-[5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]-2-pyridinyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-(5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)pyridin-2-yl)-2,2-difluoroacetamide?
The canonical SMILES for N-(5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)pyridin-2-yl)-2,2-difluoroacetamide is C1=CC(=NC=C1C2=NN=C(O2)C(F)F)CN3C=C(N=C3)C4=CN=C(C=C4)NC(=O)C(F)F.
What is the InChIKey of N-(5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)pyridin-2-yl)-2,2-difluoroacetamide?
The InChIKey is BKDOPIOHWAZGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N7O2/c20-15(21)17(31)27-14-4-2-10(5-25-14)13-8-30(9-26-13)7-12-3-1-11(6-24-12)18-28-29-19(32-18)16(22)23/h1-6,8-9,15-16H,7H2,(H,25,27,31).
What are the key properties of N-(5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)pyridin-2-yl)-2,2-difluoroacetamide?
N-(5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)pyridin-2-yl)-2,2-difluoroacetamide has a molecular weight of 447.30 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)pyridin-2-yl)-2,2-difluoroacetamide is sourced from PubChem (CID 162722574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).