N-[[4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C25H30N4O3S — CID 153192558

IUPACN-[[4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCC3(CCCCC3)C2)cc1)c1ccc2nccn2c1
InChIInChI=1S/C25H30N4O3S/c30-24(21-7-10-23-26-14-16-28(23)18-21)27-17-20-5-8-22(9-6-20)33(31,32)29-15-4-13-25(19-29)11-2-1-3-12-25/h5-10,14,16,18H,1-4,11-13,15,17,19H2,(H,27,30)
InChIKeyWIIIBBJQRDFXRQ-UHFFFAOYSA-N
MW466.61 g/mol
LogP4.00
Rot. Bonds5

About N-[[4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 153192558) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is N-[[4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID153192558
Molecular FormulaC25H30N4O3S
Molecular Weight466.61 g/mol
Exact Mass466.20
IUPAC NameN-[[4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCC3(CCCCC3)C2)cc1)c1ccc2nccn2c1
InChIInChI=1S/C25H30N4O3S/c30-24(21-7-10-23-26-14-16-28(23)18-21)27-17-20-5-8-22(9-6-20)33(31,32)29-15-4-13-25(19-29)11-2-1-3-12-25/h5-10,14,16,18H,1-4,11-13,15,17,19H2,(H,27,30)
InChIKeyWIIIBBJQRDFXRQ-UHFFFAOYSA-N
XLogP4.00
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 153192558) is N-[[4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCCC3(CCCCC3)C2)cc1)c1ccc2nccn2c1.
What is the InChIKey of N-[[4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is WIIIBBJQRDFXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S/c30-24(21-7-10-23-26-14-16-28(23)18-21)27-17-20-5-8-22(9-6-20)33(31,32)29-15-4-13-25(19-29)11-2-1-3-12-25/h5-10,14,16,18H,1-4,11-13,15,17,19H2,(H,27,30).
What are the key properties of N-[[4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 466.61 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 153192558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).