(2R,3S)-1-methyl-5-oxo-2-phenyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide

C19H22N4O2 — CID 95767503

IUPAC(2R,3S)-1-methyl-5-oxo-2-phenyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@H](C(=O)N[C@@H]2CCc3nccn3C2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H22N4O2/c1-22-17(24)11-15(18(22)13-5-3-2-4-6-13)19(25)21-14-7-8-16-20-9-10-23(16)12-14/h2-6,9-10,14-15,18H,7-8,11-12H2,1H3,(H,21,25)/t14-,15+,18+/m1/s1
InChIKeyGJGDOHYADVPDGT-VKJFTORMSA-N
MW338.41 g/mol
LogP1.53
Rot. Bonds3

About (2R,3S)-1-methyl-5-oxo-2-phenyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide

(2R,3S)-1-methyl-5-oxo-2-phenyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide (PubChem CID 95767503) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2R,3S)-1-methyl-5-oxo-2-phenyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-1-methyl-5-oxo-2-phenyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide
PubChem CID95767503
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(2R,3S)-1-methyl-5-oxo-2-phenyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@H](C(=O)N[C@@H]2CCc3nccn3C2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H22N4O2/c1-22-17(24)11-15(18(22)13-5-3-2-4-6-13)19(25)21-14-7-8-16-20-9-10-23(16)12-14/h2-6,9-10,14-15,18H,7-8,11-12H2,1H3,(H,21,25)/t14-,15+,18+/m1/s1
InChIKeyGJGDOHYADVPDGT-VKJFTORMSA-N
XLogP1.53
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-methyl-5-oxo-2-phenyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (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) is (2R,3S)-1-methyl-5-oxo-2-phenyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3S)-1-methyl-5-oxo-2-phenyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3S)-1-methyl-5-oxo-2-phenyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide is CN1C(=O)C[C@H](C(=O)N[C@@H]2CCc3nccn3C2)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-1-methyl-5-oxo-2-phenyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide?
The InChIKey is GJGDOHYADVPDGT-VKJFTORMSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22-17(24)11-15(18(22)13-5-3-2-4-6-13)19(25)21-14-7-8-16-20-9-10-23(16)12-14/h2-6,9-10,14-15,18H,7-8,11-12H2,1H3,(H,21,25)/t14-,15+,18+/m1/s1.
What are the key properties of (2R,3S)-1-methyl-5-oxo-2-phenyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide?
(2R,3S)-1-methyl-5-oxo-2-phenyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-methyl-5-oxo-2-phenyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95767503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).