(3R,6R)-1-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-phenylpiperidine-3-carboxamide

C26H26N4O3S — CID 53246844

IUPAC(3R,6R)-1-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-phenylpiperidine-3-carboxamide
SMILESO=C(NCc1cnc2ccccn12)[C@@H]1CC[C@H](c2ccccc2)N(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C26H26N4O3S/c31-26(28-18-22-17-27-25-13-7-8-16-29(22)25)21-14-15-24(20-9-3-1-4-10-20)30(19-21)34(32,33)23-11-5-2-6-12-23/h1-13,16-17,21,24H,14-15,18-19H2,(H,28,31)/t21-,24-/m1/s1
InChIKeyXTMIATUYMPQYMB-ZJSXRUAMSA-N
MW474.59 g/mol
LogP3.79
Rot. Bonds6

About (3R,6R)-1-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-phenylpiperidine-3-carboxamide

(3R,6R)-1-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-phenylpiperidine-3-carboxamide (PubChem CID 53246844) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is (3R,6R)-1-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6R)-1-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-phenylpiperidine-3-carboxamide
PubChem CID53246844
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC Name(3R,6R)-1-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-phenylpiperidine-3-carboxamide
SMILESO=C(NCc1cnc2ccccn12)[C@@H]1CC[C@H](c2ccccc2)N(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C26H26N4O3S/c31-26(28-18-22-17-27-25-13-7-8-16-29(22)25)21-14-15-24(20-9-3-1-4-10-20)30(19-21)34(32,33)23-11-5-2-6-12-23/h1-13,16-17,21,24H,14-15,18-19H2,(H,28,31)/t21-,24-/m1/s1
InChIKeyXTMIATUYMPQYMB-ZJSXRUAMSA-N
XLogP3.79
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-1-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-phenylpiperidine-3-carboxamide?
The IUPAC name of (3R,6R)-1-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-phenylpiperidine-3-carboxamide (CID 53246844) is (3R,6R)-1-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,6R)-1-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3R,6R)-1-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-phenylpiperidine-3-carboxamide is O=C(NCc1cnc2ccccn12)[C@@H]1CC[C@H](c2ccccc2)N(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of (3R,6R)-1-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-phenylpiperidine-3-carboxamide?
The InChIKey is XTMIATUYMPQYMB-ZJSXRUAMSA-N. The full InChI is InChI=1S/C26H26N4O3S/c31-26(28-18-22-17-27-25-13-7-8-16-29(22)25)21-14-15-24(20-9-3-1-4-10-20)30(19-21)34(32,33)23-11-5-2-6-12-23/h1-13,16-17,21,24H,14-15,18-19H2,(H,28,31)/t21-,24-/m1/s1.
What are the key properties of (3R,6R)-1-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-phenylpiperidine-3-carboxamide?
(3R,6R)-1-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-phenylpiperidine-3-carboxamide has a molecular weight of 474.59 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-1-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 53246844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).