(1-benzylpyrrolidin-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone

C34H40N4O — CID 134329752

IUPAC(1-benzylpyrrolidin-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)C5CCN(Cc6ccccc6)C5)CC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C34H40N4O/c1-23(2)32-30-20-27(9-10-31(30)36-33(32)28-11-15-35-24(3)19-28)26-13-17-38(18-14-26)34(39)29-12-16-37(22-29)21-25-7-5-4-6-8-25/h4-11,15,19-20,23,26,29,36H,12-14,16-18,21-22H2,1-3H3
InChIKeyUINUWNPYGSAVPG-UHFFFAOYSA-N
MW520.72 g/mol
LogP6.89
Rot. Bonds6

About (1-benzylpyrrolidin-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone

(1-benzylpyrrolidin-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone (PubChem CID 134329752) has the molecular formula C34H40N4O and a molecular weight of 520.72 g/mol. Its IUPAC name is (1-benzylpyrrolidin-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzylpyrrolidin-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone
PubChem CID134329752
Molecular FormulaC34H40N4O
Molecular Weight520.72 g/mol
Exact Mass520.32
IUPAC Name(1-benzylpyrrolidin-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)C5CCN(Cc6ccccc6)C5)CC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C34H40N4O/c1-23(2)32-30-20-27(9-10-31(30)36-33(32)28-11-15-35-24(3)19-28)26-13-17-38(18-14-26)34(39)29-12-16-37(22-29)21-25-7-5-4-6-8-25/h4-11,15,19-20,23,26,29,36H,12-14,16-18,21-22H2,1-3H3
InChIKeyUINUWNPYGSAVPG-UHFFFAOYSA-N
XLogP6.89
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.72
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrolidin-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-benzylpyrrolidin-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone (CID 134329752) is (1-benzylpyrrolidin-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-benzylpyrrolidin-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-benzylpyrrolidin-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)C5CCN(Cc6ccccc6)C5)CC4)cc3c2C(C)C)ccn1.
What is the InChIKey of (1-benzylpyrrolidin-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone?
The InChIKey is UINUWNPYGSAVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N4O/c1-23(2)32-30-20-27(9-10-31(30)36-33(32)28-11-15-35-24(3)19-28)26-13-17-38(18-14-26)34(39)29-12-16-37(22-29)21-25-7-5-4-6-8-25/h4-11,15,19-20,23,26,29,36H,12-14,16-18,21-22H2,1-3H3.
What are the key properties of (1-benzylpyrrolidin-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone?
(1-benzylpyrrolidin-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone has a molecular weight of 520.72 g/mol, XLogP of 6.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrolidin-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 134329752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).