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

C27H32N4O2 — CID 134330076

IUPAC4-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)C5CNC(=O)C5)CC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C27H32N4O2/c1-16(2)25-22-13-19(4-5-23(22)30-26(25)20-6-9-28-17(3)12-20)18-7-10-31(11-8-18)27(33)21-14-24(32)29-15-21/h4-6,9,12-13,16,18,21,30H,7-8,10-11,14-15H2,1-3H3,(H,29,32)
InChIKeyAVYLXZDFYNQJKT-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.50
Rot. Bonds4

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

4-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 134330076) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 4-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID134330076
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name4-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)C5CNC(=O)C5)CC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C27H32N4O2/c1-16(2)25-22-13-19(4-5-23(22)30-26(25)20-6-9-28-17(3)12-20)18-7-10-31(11-8-18)27(33)21-14-24(32)29-15-21/h4-6,9,12-13,16,18,21,30H,7-8,10-11,14-15H2,1-3H3,(H,29,32)
InChIKeyAVYLXZDFYNQJKT-UHFFFAOYSA-N
XLogP4.50
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 4-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 134330076) is 4-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)C5CNC(=O)C5)CC4)cc3c2C(C)C)ccn1.
What is the InChIKey of 4-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is AVYLXZDFYNQJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-16(2)25-22-13-19(4-5-23(22)30-26(25)20-6-9-28-17(3)12-20)18-7-10-31(11-8-18)27(33)21-14-24(32)29-15-21/h4-6,9,12-13,16,18,21,30H,7-8,10-11,14-15H2,1-3H3,(H,29,32).
What are the key properties of 4-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
4-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 444.58 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 134330076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).