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

C29H36N4O2 — CID 155802584

IUPAC(4R)-4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)[C@@H]5CC(=O)N(C)C5)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C29H36N4O2/c1-17(2)27-24-14-21(6-7-25(24)31-28(27)22-12-18(3)30-19(4)13-22)20-8-10-33(11-9-20)29(35)23-15-26(34)32(5)16-23/h6-7,12-14,17,20,23,31H,8-11,15-16H2,1-5H3/t23-/m1/s1
InChIKeyRXTSZQDKKBHOAC-HSZRJFAPSA-N
MW472.63 g/mol
LogP5.15
Rot. Bonds4

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

(4R)-4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 155802584) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is (4R)-4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID155802584
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC Name(4R)-4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)[C@@H]5CC(=O)N(C)C5)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C29H36N4O2/c1-17(2)27-24-14-21(6-7-25(24)31-28(27)22-12-18(3)30-19(4)13-22)20-8-10-33(11-9-20)29(35)23-15-26(34)32(5)16-23/h6-7,12-14,17,20,23,31H,8-11,15-16H2,1-5H3/t23-/m1/s1
InChIKeyRXTSZQDKKBHOAC-HSZRJFAPSA-N
XLogP5.15
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one (CID 155802584) is (4R)-4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[4-[2-(2,6-dimethyl-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)[C@@H]5CC(=O)N(C)C5)CC4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of (4R)-4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is RXTSZQDKKBHOAC-HSZRJFAPSA-N. The full InChI is InChI=1S/C29H36N4O2/c1-17(2)27-24-14-21(6-7-25(24)31-28(27)22-12-18(3)30-19(4)13-22)20-8-10-33(11-9-20)29(35)23-15-26(34)32(5)16-23/h6-7,12-14,17,20,23,31H,8-11,15-16H2,1-5H3/t23-/m1/s1.
What are the key properties of (4R)-4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
(4R)-4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 472.63 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 155802584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).