N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide

C18H24N4O2 — CID 110127357

IUPACN-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccc2nc(C(=O)N[C@@H]3CC[C@@H](N4CCCC4)[C@@H]3O)cn2c1
InChIInChI=1S/C18H24N4O2/c1-12-4-7-16-19-14(11-22(16)10-12)18(24)20-13-5-6-15(17(13)23)21-8-2-3-9-21/h4,7,10-11,13,15,17,23H,2-3,5-6,8-9H2,1H3,(H,20,24)/t13-,15-,17-/m1/s1
InChIKeyZJHJWNNIAWBJCU-FRFSOERESA-N
MW328.42 g/mol
LogP1.36
Rot. Bonds3

About N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 110127357) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID110127357
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccc2nc(C(=O)N[C@@H]3CC[C@@H](N4CCCC4)[C@@H]3O)cn2c1
InChIInChI=1S/C18H24N4O2/c1-12-4-7-16-19-14(11-22(16)10-12)18(24)20-13-5-6-15(17(13)23)21-8-2-3-9-21/h4,7,10-11,13,15,17,23H,2-3,5-6,8-9H2,1H3,(H,20,24)/t13-,15-,17-/m1/s1
InChIKeyZJHJWNNIAWBJCU-FRFSOERESA-N
XLogP1.36
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 110127357) is N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide is Cc1ccc2nc(C(=O)N[C@@H]3CC[C@@H](N4CCCC4)[C@@H]3O)cn2c1.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is ZJHJWNNIAWBJCU-FRFSOERESA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-4-7-16-19-14(11-22(16)10-12)18(24)20-13-5-6-15(17(13)23)21-8-2-3-9-21/h4,7,10-11,13,15,17,23H,2-3,5-6,8-9H2,1H3,(H,20,24)/t13-,15-,17-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 110127357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).