azepan-1-yl-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone

C20H24N4O — CID 109264936

IUPACazepan-1-yl-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone
SMILESCC1Cc2ccccc2N1c1ncc(C(=O)N2CCCCCC2)cn1
InChIInChI=1S/C20H24N4O/c1-15-12-16-8-4-5-9-18(16)24(15)20-21-13-17(14-22-20)19(25)23-10-6-2-3-7-11-23/h4-5,8-9,13-15H,2-3,6-7,10-12H2,1H3
InChIKeyILERWCWKQQZWIO-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.58
Rot. Bonds2

About azepan-1-yl-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone

azepan-1-yl-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone (PubChem CID 109264936) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is azepan-1-yl-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone
PubChem CID109264936
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Nameazepan-1-yl-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone
SMILESCC1Cc2ccccc2N1c1ncc(C(=O)N2CCCCCC2)cn1
InChIInChI=1S/C20H24N4O/c1-15-12-16-8-4-5-9-18(16)24(15)20-21-13-17(14-22-20)19(25)23-10-6-2-3-7-11-23/h4-5,8-9,13-15H,2-3,6-7,10-12H2,1H3
InChIKeyILERWCWKQQZWIO-UHFFFAOYSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpiperidin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone
CID 109264203
[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181947
(2-methyl-2,3-dihydroindol-1-yl)-[2-(piperidine-1-carbonyl)-4-pyridinyl]methanone
CID 109081337
N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109270109
N-(2,3-dimethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109267191
N-(3,4-difluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109270592
5-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid
CID 80631271
[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249260
(1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 41025049
azocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone
CID 55332107
[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249944
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone?
The IUPAC name of azepan-1-yl-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone (CID 109264936) is azepan-1-yl-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone.
What is the SMILES notation for azepan-1-yl-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone?
The canonical SMILES for azepan-1-yl-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone is CC1Cc2ccccc2N1c1ncc(C(=O)N2CCCCCC2)cn1.
What is the InChIKey of azepan-1-yl-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone?
The InChIKey is ILERWCWKQQZWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-12-16-8-4-5-9-18(16)24(15)20-21-13-17(14-22-20)19(25)23-10-6-2-3-7-11-23/h4-5,8-9,13-15H,2-3,6-7,10-12H2,1H3.
What are the key properties of azepan-1-yl-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone?
azepan-1-yl-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone has a molecular weight of 336.44 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone is sourced from PubChem (CID 109264936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).