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

C12H16N4O2 — CID 95765536

IUPAC(2S)-5-oxo-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)N[C@@H]2CCc3nccn3C2)N1
InChIInChI=1S/C12H16N4O2/c17-11-4-2-9(15-11)12(18)14-8-1-3-10-13-5-6-16(10)7-8/h5-6,8-9H,1-4,7H2,(H,14,18)(H,15,17)/t8-,9+/m1/s1
InChIKeyAFCCYGPBNJCDPJ-BDAKNGLRSA-N
MW248.29 g/mol
LogP-0.41
Rot. Bonds2

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

(2S)-5-oxo-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide (PubChem CID 95765536) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is (2S)-5-oxo-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-oxo-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide
PubChem CID95765536
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name(2S)-5-oxo-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)N[C@@H]2CCc3nccn3C2)N1
InChIInChI=1S/C12H16N4O2/c17-11-4-2-9(15-11)12(18)14-8-1-3-10-13-5-6-16(10)7-8/h5-6,8-9H,1-4,7H2,(H,14,18)(H,15,17)/t8-,9+/m1/s1
InChIKeyAFCCYGPBNJCDPJ-BDAKNGLRSA-N
XLogP-0.41
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86771999
(1R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1H-indene-1-carboxamide
CID 95761037
(3S)-1-(2-methylpropyl)-5-oxo-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide
CID 95137041
(3R)-1-(2-methylpropyl)-5-oxo-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide
CID 95137037
(2S)-1-acetyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide
CID 95145770
(2R,3S)-1-methyl-5-oxo-2-phenyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide
CID 95767503
(2R)-1-methylsulfonyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide
CID 95138552
(1S)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95134787
2-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 154775634
(2R)-1-ethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide
CID 129461126
(2S,3S)-2-methyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 129418427
(2S)-1-methylsulfonyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide
CID 129446113

Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-5-oxo-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide (CID 95765536) is (2S)-5-oxo-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-5-oxo-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-5-oxo-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide is O=C1CC[C@@H](C(=O)N[C@@H]2CCc3nccn3C2)N1.
What is the InChIKey of (2S)-5-oxo-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide?
The InChIKey is AFCCYGPBNJCDPJ-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H16N4O2/c17-11-4-2-9(15-11)12(18)14-8-1-3-10-13-5-6-16(10)7-8/h5-6,8-9H,1-4,7H2,(H,14,18)(H,15,17)/t8-,9+/m1/s1.
What are the key properties of (2S)-5-oxo-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide?
(2S)-5-oxo-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide has a molecular weight of 248.29 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxo-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95765536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).