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

C23H22N4O — CID 109335434

IUPAC[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1cc(C(=O)N2c3ccccc3CC2C)nc(N2CCc3ccccc32)n1
InChIInChI=1S/C23H22N4O/c1-15-13-19(22(28)27-16(2)14-18-8-4-6-10-21(18)27)25-23(24-15)26-12-11-17-7-3-5-9-20(17)26/h3-10,13,16H,11-12,14H2,1-2H3
InChIKeyPKKVOYXRAKQLCW-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.07
Rot. Bonds2

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

[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 109335434) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID109335434
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1cc(C(=O)N2c3ccccc3CC2C)nc(N2CCc3ccccc32)n1
InChIInChI=1S/C23H22N4O/c1-15-13-19(22(28)27-16(2)14-18-8-4-6-10-21(18)27)25-23(24-15)26-12-11-17-7-3-5-9-20(17)26/h3-10,13,16H,11-12,14H2,1-2H3
InChIKeyPKKVOYXRAKQLCW-UHFFFAOYSA-N
XLogP4.07
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109330593
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109331562
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109333851
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859
2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335380
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
N-(2,6-difluorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109335446
[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109336761
(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
CID 109325288
4-methyl-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049137
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109335400
(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone
CID 109330430

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 109335434) is [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is Cc1cc(C(=O)N2c3ccccc3CC2C)nc(N2CCc3ccccc32)n1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is PKKVOYXRAKQLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-15-13-19(22(28)27-16(2)14-18-8-4-6-10-21(18)27)25-23(24-15)26-12-11-17-7-3-5-9-20(17)26/h3-10,13,16H,11-12,14H2,1-2H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 370.46 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109335434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).