7-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-3H-indole

C24H31N5 — CID 159475991

IUPAC7-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-3H-indole
SMILESCc1cccnc1C1CCCN1CC1=Nc2c(cccc2N2CCN(C)CC2)C1
InChIInChI=1S/C24H31N5/c1-18-6-4-10-25-23(18)21-9-5-11-29(21)17-20-16-19-7-3-8-22(24(19)26-20)28-14-12-27(2)13-15-28/h3-4,6-8,10,21H,5,9,11-17H2,1-2H3
InChIKeyLWJSNRUZLCUPBE-UHFFFAOYSA-N
MW389.55 g/mol
LogP3.61
Rot. Bonds4

About 7-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-3H-indole

7-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-3H-indole (PubChem CID 159475991) has the molecular formula C24H31N5 and a molecular weight of 389.55 g/mol. Its IUPAC name is 7-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-3H-indole.

Molecular Properties

Compound Name7-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-3H-indole
PubChem CID159475991
Molecular FormulaC24H31N5
Molecular Weight389.55 g/mol
Exact Mass389.26
IUPAC Name7-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-3H-indole
SMILESCc1cccnc1C1CCCN1CC1=Nc2c(cccc2N2CCN(C)CC2)C1
InChIInChI=1S/C24H31N5/c1-18-6-4-10-25-23(18)21-9-5-11-29(21)17-20-16-19-7-3-8-22(24(19)26-20)28-14-12-27(2)13-15-28/h3-4,6-8,10,21H,5,9,11-17H2,1-2H3
InChIKeyLWJSNRUZLCUPBE-UHFFFAOYSA-N
XLogP3.61
TPSA34.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-3H-indole?
The IUPAC name of 7-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-3H-indole (CID 159475991) is 7-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-3H-indole.
What is the SMILES notation for 7-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-3H-indole?
The canonical SMILES for 7-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-3H-indole is Cc1cccnc1C1CCCN1CC1=Nc2c(cccc2N2CCN(C)CC2)C1.
What is the InChIKey of 7-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-3H-indole?
The InChIKey is LWJSNRUZLCUPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5/c1-18-6-4-10-25-23(18)21-9-5-11-29(21)17-20-16-19-7-3-8-22(24(19)26-20)28-14-12-27(2)13-15-28/h3-4,6-8,10,21H,5,9,11-17H2,1-2H3.
What are the key properties of 7-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-3H-indole?
7-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-3H-indole has a molecular weight of 389.55 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-3H-indole is sourced from PubChem (CID 159475991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).