N-[[4-(3,5-difluorophenyl)sulfonylcyclohexa-1,5-dien-1-yl]methyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide

C21H19F2N3O3S — CID 147540028

IUPACN-[[4-(3,5-difluorophenyl)sulfonylcyclohexa-1,5-dien-1-yl]methyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCC1=CCC(S(=O)(=O)c2cc(F)cc(F)c2)C=C1)C1=CN2CCN=C2C=C1
InChIInChI=1S/C21H19F2N3O3S/c22-16-9-17(23)11-19(10-16)30(28,29)18-4-1-14(2-5-18)12-25-21(27)15-3-6-20-24-7-8-26(20)13-15/h1-4,6,9-11,13,18H,5,7-8,12H2,(H,25,27)
InChIKeyFOSJZGGQNRFXGM-UHFFFAOYSA-N
MW431.46 g/mol
LogP2.28
Rot. Bonds5

About N-[[4-(3,5-difluorophenyl)sulfonylcyclohexa-1,5-dien-1-yl]methyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide

N-[[4-(3,5-difluorophenyl)sulfonylcyclohexa-1,5-dien-1-yl]methyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 147540028) has the molecular formula C21H19F2N3O3S and a molecular weight of 431.46 g/mol. Its IUPAC name is N-[[4-(3,5-difluorophenyl)sulfonylcyclohexa-1,5-dien-1-yl]methyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(3,5-difluorophenyl)sulfonylcyclohexa-1,5-dien-1-yl]methyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID147540028
Molecular FormulaC21H19F2N3O3S
Molecular Weight431.46 g/mol
Exact Mass431.11
IUPAC NameN-[[4-(3,5-difluorophenyl)sulfonylcyclohexa-1,5-dien-1-yl]methyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCC1=CCC(S(=O)(=O)c2cc(F)cc(F)c2)C=C1)C1=CN2CCN=C2C=C1
InChIInChI=1S/C21H19F2N3O3S/c22-16-9-17(23)11-19(10-16)30(28,29)18-4-1-14(2-5-18)12-25-21(27)15-3-6-20-24-7-8-26(20)13-15/h1-4,6,9-11,13,18H,5,7-8,12H2,(H,25,27)
InChIKeyFOSJZGGQNRFXGM-UHFFFAOYSA-N
XLogP2.28
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-difluorophenyl)sulfonylcyclohexa-1,5-dien-1-yl]methyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-(3,5-difluorophenyl)sulfonylcyclohexa-1,5-dien-1-yl]methyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide (CID 147540028) is N-[[4-(3,5-difluorophenyl)sulfonylcyclohexa-1,5-dien-1-yl]methyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-(3,5-difluorophenyl)sulfonylcyclohexa-1,5-dien-1-yl]methyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-(3,5-difluorophenyl)sulfonylcyclohexa-1,5-dien-1-yl]methyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide is O=C(NCC1=CCC(S(=O)(=O)c2cc(F)cc(F)c2)C=C1)C1=CN2CCN=C2C=C1.
What is the InChIKey of N-[[4-(3,5-difluorophenyl)sulfonylcyclohexa-1,5-dien-1-yl]methyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is FOSJZGGQNRFXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3S/c22-16-9-17(23)11-19(10-16)30(28,29)18-4-1-14(2-5-18)12-25-21(27)15-3-6-20-24-7-8-26(20)13-15/h1-4,6,9-11,13,18H,5,7-8,12H2,(H,25,27).
What are the key properties of N-[[4-(3,5-difluorophenyl)sulfonylcyclohexa-1,5-dien-1-yl]methyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide?
N-[[4-(3,5-difluorophenyl)sulfonylcyclohexa-1,5-dien-1-yl]methyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-difluorophenyl)sulfonylcyclohexa-1,5-dien-1-yl]methyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 147540028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).