N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C21H22N4O4S — CID 66609763

IUPACN-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CC3CCC(C2)O3)cc1)c1ccc2nccn2c1
InChIInChI=1S/C21H22N4O4S/c26-21(16-3-8-20-22-9-10-24(20)12-16)23-11-15-1-6-19(7-2-15)30(27,28)25-13-17-4-5-18(14-25)29-17/h1-3,6-10,12,17-18H,4-5,11,13-14H2,(H,23,26)
InChIKeyHCCJTSYMIVWQDE-UHFFFAOYSA-N
MW426.50 g/mol
LogP1.82
Rot. Bonds5

About N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 66609763) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID66609763
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC NameN-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CC3CCC(C2)O3)cc1)c1ccc2nccn2c1
InChIInChI=1S/C21H22N4O4S/c26-21(16-3-8-20-22-9-10-24(20)12-16)23-11-15-1-6-19(7-2-15)30(27,28)25-13-17-4-5-18(14-25)29-17/h1-3,6-10,12,17-18H,4-5,11,13-14H2,(H,23,26)
InChIKeyHCCJTSYMIVWQDE-UHFFFAOYSA-N
XLogP1.82
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 66609763) is N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CC3CCC(C2)O3)cc1)c1ccc2nccn2c1.
What is the InChIKey of N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is HCCJTSYMIVWQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c26-21(16-3-8-20-22-9-10-24(20)12-16)23-11-15-1-6-19(7-2-15)30(27,28)25-13-17-4-5-18(14-25)29-17/h1-3,6-10,12,17-18H,4-5,11,13-14H2,(H,23,26).
What are the key properties of N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 66609763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).