(2R)-1-methylsulfonyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide

C13H20N4O3S — CID 95138552

IUPAC(2R)-1-methylsulfonyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCc2nccn2C1
InChIInChI=1S/C13H20N4O3S/c1-21(19,20)17-7-2-3-11(17)13(18)15-10-4-5-12-14-6-8-16(12)9-10/h6,8,10-11H,2-5,7,9H2,1H3,(H,15,18)/t10-,11-/m1/s1
InChIKeyHQERLUKPCWBMEB-GHMZBOCLSA-N
MW312.40 g/mol
LogP-0.26
Rot. Bonds3

About (2R)-1-methylsulfonyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide

(2R)-1-methylsulfonyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide (PubChem CID 95138552) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is (2R)-1-methylsulfonyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-methylsulfonyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide
PubChem CID95138552
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name(2R)-1-methylsulfonyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCc2nccn2C1
InChIInChI=1S/C13H20N4O3S/c1-21(19,20)17-7-2-3-11(17)13(18)15-10-4-5-12-14-6-8-16(12)9-10/h6,8,10-11H,2-5,7,9H2,1H3,(H,15,18)/t10-,11-/m1/s1
InChIKeyHQERLUKPCWBMEB-GHMZBOCLSA-N
XLogP-0.26
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-methylsulfonyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S)-1-methylsulfonyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide
CID 129446113
(2S)-1-acetyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide
CID 95145770
(2R)-1-ethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide
CID 129461126
2-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 154775634
(2R)-1-(pyridin-4-ylmethyl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide
CID 95760097
(2R)-N-cyclohexyl-1-methylsulfonylpiperidine-2-carboxamide
CID 31407568
(2S)-5-oxo-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide
CID 95765536
(3S)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95739299
(3R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95739298
(3S)-2-acetyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95766903
2-methoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86771999
(1S)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95134787

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methylsulfonyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-methylsulfonyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide (CID 95138552) is (2R)-1-methylsulfonyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-methylsulfonyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-methylsulfonyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide is CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCc2nccn2C1.
What is the InChIKey of (2R)-1-methylsulfonyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide?
The InChIKey is HQERLUKPCWBMEB-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-21(19,20)17-7-2-3-11(17)13(18)15-10-4-5-12-14-6-8-16(12)9-10/h6,8,10-11H,2-5,7,9H2,1H3,(H,15,18)/t10-,11-/m1/s1.
What are the key properties of (2R)-1-methylsulfonyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide?
(2R)-1-methylsulfonyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide has a molecular weight of 312.40 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methylsulfonyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95138552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).