[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone

C24H26N4O — CID 118354922

IUPAC[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
SMILESCC1CC(CN2CCc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1
InChIInChI=1S/C24H26N4O/c1-17-11-18(16-28(17)24(29)19-5-3-2-4-6-19)15-27-10-9-21-12-20(7-8-23(21)27)22-13-25-26-14-22/h2-8,12-14,17-18H,9-11,15-16H2,1H3,(H,25,26)
InChIKeyUXMVXBYNMNMUGL-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.99
Rot. Bonds4

About [2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone

[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 118354922) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is [2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
PubChem CID118354922
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
SMILESCC1CC(CN2CCc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1
InChIInChI=1S/C24H26N4O/c1-17-11-18(16-28(17)24(29)19-5-3-2-4-6-19)15-27-10-9-21-12-20(7-8-23(21)27)22-13-25-26-14-22/h2-8,12-14,17-18H,9-11,15-16H2,1H3,(H,25,26)
InChIKeyUXMVXBYNMNMUGL-UHFFFAOYSA-N
XLogP3.99
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone (CID 118354922) is [2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone is CC1CC(CN2CCc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1.
What is the InChIKey of [2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is UXMVXBYNMNMUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-17-11-18(16-28(17)24(29)19-5-3-2-4-6-19)15-27-10-9-21-12-20(7-8-23(21)27)22-13-25-26-14-22/h2-8,12-14,17-18H,9-11,15-16H2,1H3,(H,25,26).
What are the key properties of [2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone?
[2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 386.50 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 118354922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).