(1R,5R)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

C17H23N5O3S — CID 70760781

IUPAC(1R,5R)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
SMILESCN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cn3ccccc3n1)C2
InChIInChI=1S/C17H23N5O3S/c1-19(2)26(24,25)21-9-13-6-7-14(11-21)22(10-13)17(23)15-12-20-8-4-3-5-16(20)18-15/h3-5,8,12-14H,6-7,9-11H2,1-2H3/t13-,14+/m0/s1
InChIKeyQPCWWHQNMZGUCQ-UONOGXRCSA-N
MW377.47 g/mol
LogP0.68
Rot. Bonds3

About (1R,5R)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

(1R,5R)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide (PubChem CID 70760781) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is (1R,5R)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide.

Molecular Properties

Compound Name(1R,5R)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
PubChem CID70760781
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name(1R,5R)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
SMILESCN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cn3ccccc3n1)C2
InChIInChI=1S/C17H23N5O3S/c1-19(2)26(24,25)21-9-13-6-7-14(11-21)22(10-13)17(23)15-12-20-8-4-3-5-16(20)18-15/h3-5,8,12-14H,6-7,9-11H2,1-2H3/t13-,14+/m0/s1
InChIKeyQPCWWHQNMZGUCQ-UONOGXRCSA-N
XLogP0.68
TPSA78.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The IUPAC name of (1R,5R)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide (CID 70760781) is (1R,5R)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide.
What is the SMILES notation for (1R,5R)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The canonical SMILES for (1R,5R)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide is CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cn3ccccc3n1)C2.
What is the InChIKey of (1R,5R)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The InChIKey is QPCWWHQNMZGUCQ-UONOGXRCSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-19(2)26(24,25)21-9-13-6-7-14(11-21)22(10-13)17(23)15-12-20-8-4-3-5-16(20)18-15/h3-5,8,12-14H,6-7,9-11H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of (1R,5R)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
(1R,5R)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide has a molecular weight of 377.47 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide is sourced from PubChem (CID 70760781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).