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

C16H24N4O2 — CID 95137041

IUPAC(3S)-1-(2-methylpropyl)-5-oxo-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide
SMILESCC(C)CN1C[C@@H](C(=O)N[C@H]2CCc3nccn3C2)CC1=O
InChIInChI=1S/C16H24N4O2/c1-11(2)8-20-9-12(7-15(20)21)16(22)18-13-3-4-14-17-5-6-19(14)10-13/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,18,22)/t12-,13-/m0/s1
InChIKeyWNRFVCLZDNZXLQ-STQMWFEESA-N
MW304.39 g/mol
LogP0.82
Rot. Bonds4

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

(3S)-1-(2-methylpropyl)-5-oxo-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide (PubChem CID 95137041) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3S)-1-(2-methylpropyl)-5-oxo-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methylpropyl)-5-oxo-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide
PubChem CID95137041
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(3S)-1-(2-methylpropyl)-5-oxo-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide
SMILESCC(C)CN1C[C@@H](C(=O)N[C@H]2CCc3nccn3C2)CC1=O
InChIInChI=1S/C16H24N4O2/c1-11(2)8-20-9-12(7-15(20)21)16(22)18-13-3-4-14-17-5-6-19(14)10-13/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,18,22)/t12-,13-/m0/s1
InChIKeyWNRFVCLZDNZXLQ-STQMWFEESA-N
XLogP0.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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)-5-oxo-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide
CID 95765536
(2R)-1-ethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide
CID 129461126
(3S)-1-(2-methylpropyl)-5-oxo-N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide
CID 37352761
1-(cyclopropylmethyl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 86772669
2-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 154775634
(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
(2S)-1-methylsulfonyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide
CID 129446113
(2R)-1-(pyridin-4-ylmethyl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide
CID 95760097
2-methoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86771999
(3R)-N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 40515594
(2R)-1-methylsulfonyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide
CID 95138552

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methylpropyl)-5-oxo-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methylpropyl)-5-oxo-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide (CID 95137041) is (3S)-1-(2-methylpropyl)-5-oxo-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methylpropyl)-5-oxo-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methylpropyl)-5-oxo-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide is CC(C)CN1C[C@@H](C(=O)N[C@H]2CCc3nccn3C2)CC1=O.
What is the InChIKey of (3S)-1-(2-methylpropyl)-5-oxo-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide?
The InChIKey is WNRFVCLZDNZXLQ-STQMWFEESA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11(2)8-20-9-12(7-15(20)21)16(22)18-13-3-4-14-17-5-6-19(14)10-13/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,18,22)/t12-,13-/m0/s1.
What are the key properties of (3S)-1-(2-methylpropyl)-5-oxo-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide?
(3S)-1-(2-methylpropyl)-5-oxo-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methylpropyl)-5-oxo-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95137041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).