2,3-dihydroindol-1-yl-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-5-yl]methanone

C22H22N4O2 — CID 109260405

IUPAC2,3-dihydroindol-1-yl-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-5-yl]methanone
SMILESCOc1cccc(CCNc2ncc(C(=O)N3CCc4ccccc43)cn2)c1
InChIInChI=1S/C22H22N4O2/c1-28-19-7-4-5-16(13-19)9-11-23-22-24-14-18(15-25-22)21(27)26-12-10-17-6-2-3-8-20(17)26/h2-8,13-15H,9-12H2,1H3,(H,23,24,25)
InChIKeyOPBSZWOIUFTUQT-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.34
Rot. Bonds6

About 2,3-dihydroindol-1-yl-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-5-yl]methanone

2,3-dihydroindol-1-yl-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-5-yl]methanone (PubChem CID 109260405) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-5-yl]methanone
PubChem CID109260405
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2,3-dihydroindol-1-yl-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-5-yl]methanone
SMILESCOc1cccc(CCNc2ncc(C(=O)N3CCc4ccccc43)cn2)c1
InChIInChI=1S/C22H22N4O2/c1-28-19-7-4-5-16(13-19)9-11-23-22-24-14-18(15-25-22)21(27)26-12-10-17-6-2-3-8-20(17)26/h2-8,13-15H,9-12H2,1H3,(H,23,24,25)
InChIKeyOPBSZWOIUFTUQT-UHFFFAOYSA-N
XLogP3.34
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109255992
2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266092
3-(2,3-dihydroindol-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-3-oxopropanamide
CID 108948672
2,3-dihydroindol-1-yl-[2-[2-(4-methoxyphenyl)ethylamino]-4-pyridinyl]methanone
CID 109173038
3,4-dihydro-1H-isoquinolin-2-yl-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-4-yl]methanone
CID 109308091
2,3-dihydroindol-1-yl-[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109214592
(2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 109265177
[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109258276
[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109158916
2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
CID 687165
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[2-(3-methoxyphenyl)ethylamino]propan-1-one
CID 109025652
2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109197759

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-5-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-5-yl]methanone (CID 109260405) is 2,3-dihydroindol-1-yl-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-5-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-5-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-5-yl]methanone is COc1cccc(CCNc2ncc(C(=O)N3CCc4ccccc43)cn2)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-5-yl]methanone?
The InChIKey is OPBSZWOIUFTUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-28-19-7-4-5-16(13-19)9-11-23-22-24-14-18(15-25-22)21(27)26-12-10-17-6-2-3-8-20(17)26/h2-8,13-15H,9-12H2,1H3,(H,23,24,25).
What are the key properties of 2,3-dihydroindol-1-yl-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-5-yl]methanone?
2,3-dihydroindol-1-yl-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-5-yl]methanone has a molecular weight of 374.44 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 109260405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).