4-[4-[2-(2-fluoro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one

C28H33FN4O2 — CID 134329714

IUPAC4-[4-[2-(2-fluoro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)C5CC(=O)N(C)C5)CC4)cc3c2C(C)C)cc(F)n1
InChIInChI=1S/C28H33FN4O2/c1-16(2)26-22-12-19(5-6-23(22)31-27(26)20-11-17(3)30-24(29)13-20)18-7-9-33(10-8-18)28(35)21-14-25(34)32(4)15-21/h5-6,11-13,16,18,21,31H,7-10,14-15H2,1-4H3
InChIKeyJAASFPPDPBCAEK-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.99
Rot. Bonds4

About 4-[4-[2-(2-fluoro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one

4-[4-[2-(2-fluoro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 134329714) has the molecular formula C28H33FN4O2 and a molecular weight of 476.60 g/mol. Its IUPAC name is 4-[4-[2-(2-fluoro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-[2-(2-fluoro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID134329714
Molecular FormulaC28H33FN4O2
Molecular Weight476.60 g/mol
Exact Mass476.26
IUPAC Name4-[4-[2-(2-fluoro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)C5CC(=O)N(C)C5)CC4)cc3c2C(C)C)cc(F)n1
InChIInChI=1S/C28H33FN4O2/c1-16(2)26-22-12-19(5-6-23(22)31-27(26)20-11-17(3)30-24(29)13-20)18-7-9-33(10-8-18)28(35)21-14-25(34)32(4)15-21/h5-6,11-13,16,18,21,31H,7-10,14-15H2,1-4H3
InChIKeyJAASFPPDPBCAEK-UHFFFAOYSA-N
XLogP4.99
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[4-[2-(2-fluoro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-fluoro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[4-[2-(2-fluoro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one (CID 134329714) is 4-[4-[2-(2-fluoro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-[2-(2-fluoro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[4-[2-(2-fluoro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)C5CC(=O)N(C)C5)CC4)cc3c2C(C)C)cc(F)n1.
What is the InChIKey of 4-[4-[2-(2-fluoro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is JAASFPPDPBCAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN4O2/c1-16(2)26-22-12-19(5-6-23(22)31-27(26)20-11-17(3)30-24(29)13-20)18-7-9-33(10-8-18)28(35)21-14-25(34)32(4)15-21/h5-6,11-13,16,18,21,31H,7-10,14-15H2,1-4H3.
What are the key properties of 4-[4-[2-(2-fluoro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
4-[4-[2-(2-fluoro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 476.60 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-fluoro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 134329714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).