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

C27H32N6 — CID 159354006

IUPAC7-(4-methylpiperazin-1-yl)-2-[1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-3H-indole
SMILESCN1CCN(c2cccc3c2N=C(C2CCCN2Cc2ccccc2-n2cccn2)C3)CC1
InChIInChI=1S/C27H32N6/c1-30-15-17-31(18-16-30)26-10-4-8-21-19-23(29-27(21)26)25-11-5-13-32(25)20-22-7-2-3-9-24(22)33-14-6-12-28-33/h2-4,6-10,12,14,25H,5,11,13,15-20H2,1H3
InChIKeyLHRLNNFISUHDKW-UHFFFAOYSA-N
MW440.60 g/mol
LogP3.92
Rot. Bonds5

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

7-(4-methylpiperazin-1-yl)-2-[1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-3H-indole (PubChem CID 159354006) has the molecular formula C27H32N6 and a molecular weight of 440.60 g/mol. Its IUPAC name is 7-(4-methylpiperazin-1-yl)-2-[1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-3H-indole.

Molecular Properties

Compound Name7-(4-methylpiperazin-1-yl)-2-[1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-3H-indole
PubChem CID159354006
Molecular FormulaC27H32N6
Molecular Weight440.60 g/mol
Exact Mass440.27
IUPAC Name7-(4-methylpiperazin-1-yl)-2-[1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-3H-indole
SMILESCN1CCN(c2cccc3c2N=C(C2CCCN2Cc2ccccc2-n2cccn2)C3)CC1
InChIInChI=1S/C27H32N6/c1-30-15-17-31(18-16-30)26-10-4-8-21-19-23(29-27(21)26)25-11-5-13-32(25)20-22-7-2-3-9-24(22)33-14-6-12-28-33/h2-4,6-10,12,14,25H,5,11,13,15-20H2,1H3
InChIKeyLHRLNNFISUHDKW-UHFFFAOYSA-N
XLogP3.92
TPSA39.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.60
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperazin-1-yl)-2-[1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-3H-indole?
The IUPAC name of 7-(4-methylpiperazin-1-yl)-2-[1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-3H-indole (CID 159354006) is 7-(4-methylpiperazin-1-yl)-2-[1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-3H-indole.
What is the SMILES notation for 7-(4-methylpiperazin-1-yl)-2-[1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-3H-indole?
The canonical SMILES for 7-(4-methylpiperazin-1-yl)-2-[1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-3H-indole is CN1CCN(c2cccc3c2N=C(C2CCCN2Cc2ccccc2-n2cccn2)C3)CC1.
What is the InChIKey of 7-(4-methylpiperazin-1-yl)-2-[1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-3H-indole?
The InChIKey is LHRLNNFISUHDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6/c1-30-15-17-31(18-16-30)26-10-4-8-21-19-23(29-27(21)26)25-11-5-13-32(25)20-22-7-2-3-9-24(22)33-14-6-12-28-33/h2-4,6-10,12,14,25H,5,11,13,15-20H2,1H3.
What are the key properties of 7-(4-methylpiperazin-1-yl)-2-[1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-3H-indole?
7-(4-methylpiperazin-1-yl)-2-[1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-3H-indole has a molecular weight of 440.60 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperazin-1-yl)-2-[1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-3H-indole is sourced from PubChem (CID 159354006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).