[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone

C24H21N3O2 — CID 42518126

IUPAC[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)[C@H]1CCCN(C(=O)c2cn3ccccc3n2)C1
InChIInChI=1S/C24H21N3O2/c28-23(19-11-10-17-6-1-2-7-18(17)14-19)20-8-5-13-27(15-20)24(29)21-16-26-12-4-3-9-22(26)25-21/h1-4,6-7,9-12,14,16,20H,5,8,13,15H2/t20-/m0/s1
InChIKeyCUUBKYKRYMWHGG-FQEVSTJZSA-N
MW383.45 g/mol
LogP4.22
Rot. Bonds3

About [(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone

[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone (PubChem CID 42518126) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is [(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
PubChem CID42518126
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)[C@H]1CCCN(C(=O)c2cn3ccccc3n2)C1
InChIInChI=1S/C24H21N3O2/c28-23(19-11-10-17-6-1-2-7-18(17)14-19)20-8-5-13-27(15-20)24(29)21-16-26-12-4-3-9-22(26)25-21/h1-4,6-7,9-12,14,16,20H,5,8,13,15H2/t20-/m0/s1
InChIKeyCUUBKYKRYMWHGG-FQEVSTJZSA-N
XLogP4.22
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone (CID 42518126) is [(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone is O=C(c1ccc2ccccc2c1)[C@H]1CCCN(C(=O)c2cn3ccccc3n2)C1.
What is the InChIKey of [(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone?
The InChIKey is CUUBKYKRYMWHGG-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H21N3O2/c28-23(19-11-10-17-6-1-2-7-18(17)14-19)20-8-5-13-27(15-20)24(29)21-16-26-12-4-3-9-22(26)25-21/h1-4,6-7,9-12,14,16,20H,5,8,13,15H2/t20-/m0/s1.
What are the key properties of [(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone?
[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone has a molecular weight of 383.45 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 42518126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).