[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

C24H25N5O — CID 109331562

IUPAC[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccc3)CC2)nc(N2CCc3ccccc32)n1
InChIInChI=1S/C24H25N5O/c1-18-17-21(26-24(25-18)29-12-11-19-7-5-6-10-22(19)29)23(30)28-15-13-27(14-16-28)20-8-3-2-4-9-20/h2-10,17H,11-16H2,1H3
InChIKeyBGNCVVBNUKZFKF-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.44
Rot. Bonds3

About [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109331562) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109331562
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccc3)CC2)nc(N2CCc3ccccc32)n1
InChIInChI=1S/C24H25N5O/c1-18-17-21(26-24(25-18)29-12-11-19-7-5-6-10-22(19)29)23(30)28-15-13-27(14-16-28)20-8-3-2-4-9-20/h2-10,17H,11-16H2,1H3
InChIKeyBGNCVVBNUKZFKF-UHFFFAOYSA-N
XLogP3.44
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109331556
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109335434
[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109331854
N-(2,6-difluorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109335446
[5-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109286387
2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335380
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109333851
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109319693
[4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109322306
2-(2,3-dihydroindol-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325347
[2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367040
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109366887

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 109331562) is [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCN(c3ccccc3)CC2)nc(N2CCc3ccccc32)n1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is BGNCVVBNUKZFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-18-17-21(26-24(25-18)29-12-11-19-7-5-6-10-22(19)29)23(30)28-15-13-27(14-16-28)20-8-3-2-4-9-20/h2-10,17H,11-16H2,1H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 399.50 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109331562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).