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

C21H21N5O — CID 109308958

IUPAC2,3-dihydroindol-1-yl-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
SMILESCN(CCc1ccncc1)c1nccc(C(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C21H21N5O/c1-25(14-9-16-6-11-22-12-7-16)21-23-13-8-18(24-21)20(27)26-15-10-17-4-2-3-5-19(17)26/h2-8,11-13H,9-10,14-15H2,1H3
InChIKeyPQGMDBHHGQILFV-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.75
Rot. Bonds5

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

2,3-dihydroindol-1-yl-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone (PubChem CID 109308958) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
PubChem CID109308958
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name2,3-dihydroindol-1-yl-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
SMILESCN(CCc1ccncc1)c1nccc(C(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C21H21N5O/c1-25(14-9-16-6-11-22-12-7-16)21-23-13-8-18(24-21)20(27)26-15-10-17-4-2-3-5-19(17)26/h2-8,11-13H,9-10,14-15H2,1H3
InChIKeyPQGMDBHHGQILFV-UHFFFAOYSA-N
XLogP2.75
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
CID 109309014
3,4-dihydro-2H-quinolin-1-yl-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]methanone
CID 109192967
(4-ethylpiperazin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
CID 109302549
2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone
CID 109314535
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 109026189
2,3-dihydroindol-1-yl-[2-(2-phenylethylamino)pyrimidin-4-yl]methanone
CID 109307779
3,4-dihydro-2H-quinolin-1-yl-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109307503
[2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109306718
2,3-dihydroindol-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109299032
4-(2,3-dihydroindol-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 112921603
2-(2,3-dihydroindol-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001520
2,3-dihydroindol-1-yl-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109296005

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone (CID 109308958) is 2,3-dihydroindol-1-yl-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone is CN(CCc1ccncc1)c1nccc(C(=O)N2CCc3ccccc32)n1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone?
The InChIKey is PQGMDBHHGQILFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-25(14-9-16-6-11-22-12-7-16)21-23-13-8-18(24-21)20(27)26-15-10-17-4-2-3-5-19(17)26/h2-8,11-13H,9-10,14-15H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone?
2,3-dihydroindol-1-yl-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone has a molecular weight of 359.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone is sourced from PubChem (CID 109308958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).