(2-methyl-2,3-dihydroindol-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone

C22H23N5O — CID 109309014

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccnc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C22H23N5O/c1-16-15-18-5-3-4-6-20(18)27(16)21(28)19-9-13-24-22(25-19)26(2)14-10-17-7-11-23-12-8-17/h3-9,11-13,16H,10,14-15H2,1-2H3
InChIKeyZKJQROIYPQTOBM-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.14
Rot. Bonds5

About (2-methyl-2,3-dihydroindol-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone

(2-methyl-2,3-dihydroindol-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone (PubChem CID 109309014) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
PubChem CID109309014
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccnc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C22H23N5O/c1-16-15-18-5-3-4-6-20(18)27(16)21(28)19-9-13-24-22(25-19)26(2)14-10-17-7-11-23-12-8-17/h3-9,11-13,16H,10,14-15H2,1-2H3
InChIKeyZKJQROIYPQTOBM-UHFFFAOYSA-N
XLogP3.14
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroindol-1-yl-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
CID 109308958
[2-[benzyl(propan-2-yl)amino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109311670
(2-methyl-2,3-dihydroindol-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone
CID 109311011
(4-ethylpiperazin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
CID 109302549
(2-methyl-2,3-dihydroindol-1-yl)-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109304559
(2-methyl-2,3-dihydroindol-1-yl)-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109296868
N-benzyl-N-methyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109097722
(2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109309496
N-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109122738
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 124515126
2-[methyl(2-pyridin-4-ylethyl)amino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296153

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone (CID 109309014) is (2-methyl-2,3-dihydroindol-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone is CC1Cc2ccccc2N1C(=O)c1ccnc(N(C)CCc2ccncc2)n1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone?
The InChIKey is ZKJQROIYPQTOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-16-15-18-5-3-4-6-20(18)27(16)21(28)19-9-13-24-22(25-19)26(2)14-10-17-7-11-23-12-8-17/h3-9,11-13,16H,10,14-15H2,1-2H3.
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone?
(2-methyl-2,3-dihydroindol-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone has a molecular weight of 373.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone is sourced from PubChem (CID 109309014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).