N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C20H14F2N4O3S — CID 71728053

IUPACN-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cn1)c1ccc2nccn2c1
InChIInChI=1S/C20H14F2N4O3S/c21-14-7-15(22)9-18(8-14)30(28,29)17-3-2-16(24-11-17)10-25-20(27)13-1-4-19-23-5-6-26(19)12-13/h1-9,11-12H,10H2,(H,25,27)
InChIKeyGZDAZTWWYOOPAU-UHFFFAOYSA-N
MW428.42 g/mol
LogP2.77
Rot. Bonds5

About N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 71728053) has the molecular formula C20H14F2N4O3S and a molecular weight of 428.42 g/mol. Its IUPAC name is N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID71728053
Molecular FormulaC20H14F2N4O3S
Molecular Weight428.42 g/mol
Exact Mass428.08
IUPAC NameN-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cn1)c1ccc2nccn2c1
InChIInChI=1S/C20H14F2N4O3S/c21-14-7-15(22)9-18(8-14)30(28,29)17-3-2-16(24-11-17)10-25-20(27)13-1-4-19-23-5-6-26(19)12-13/h1-9,11-12H,10H2,(H,25,27)
InChIKeyGZDAZTWWYOOPAU-UHFFFAOYSA-N
XLogP2.77
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 71728053) is N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cn1)c1ccc2nccn2c1.
What is the InChIKey of N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is GZDAZTWWYOOPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O3S/c21-14-7-15(22)9-18(8-14)30(28,29)17-3-2-16(24-11-17)10-25-20(27)13-1-4-19-23-5-6-26(19)12-13/h1-9,11-12H,10H2,(H,25,27).
What are the key properties of N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 428.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 71728053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).