(6-chloropyrimidin-4-yl)-[1-[3-(oxocan-4-yl)propyl]indol-3-yl]methanone

C23H26ClN3O2 — CID 143791438

IUPAC(6-chloropyrimidin-4-yl)-[1-[3-(oxocan-4-yl)propyl]indol-3-yl]methanone
SMILESO=C(c1cc(Cl)ncn1)c1cn(CCCC2CCCCOCC2)c2ccccc12
InChIInChI=1S/C23H26ClN3O2/c24-22-14-20(25-16-26-22)23(28)19-15-27(21-9-2-1-8-18(19)21)11-5-7-17-6-3-4-12-29-13-10-17/h1-2,8-9,14-17H,3-7,10-13H2
InChIKeyBWQPMGXEEMKCMD-UHFFFAOYSA-N
MW411.93 g/mol
LogP5.30
Rot. Bonds6

About (6-chloropyrimidin-4-yl)-[1-[3-(oxocan-4-yl)propyl]indol-3-yl]methanone

(6-chloropyrimidin-4-yl)-[1-[3-(oxocan-4-yl)propyl]indol-3-yl]methanone (PubChem CID 143791438) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is (6-chloropyrimidin-4-yl)-[1-[3-(oxocan-4-yl)propyl]indol-3-yl]methanone.

Molecular Properties

Compound Name(6-chloropyrimidin-4-yl)-[1-[3-(oxocan-4-yl)propyl]indol-3-yl]methanone
PubChem CID143791438
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name(6-chloropyrimidin-4-yl)-[1-[3-(oxocan-4-yl)propyl]indol-3-yl]methanone
SMILESO=C(c1cc(Cl)ncn1)c1cn(CCCC2CCCCOCC2)c2ccccc12
InChIInChI=1S/C23H26ClN3O2/c24-22-14-20(25-16-26-22)23(28)19-15-27(21-9-2-1-8-18(19)21)11-5-7-17-6-3-4-12-29-13-10-17/h1-2,8-9,14-17H,3-7,10-13H2
InChIKeyBWQPMGXEEMKCMD-UHFFFAOYSA-N
XLogP5.30
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.93
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-chloropyrimidin-4-yl)-[1-[3-(oxocan-4-yl)propyl]indol-3-yl]methanone with MolForge

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Related Compounds

3-[3-(6-chloropyrimidine-4-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 87605034
(6-chloropyrimidin-4-yl)-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indol-3-yl]methanone
CID 87604083
morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone
CID 178132767
methyl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518894
1-[1-[4-[1-(4-fluorophenyl)azepan-4-yl]butyl]indol-3-yl]ethanone
CID 143502496
[1-[4-(3-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132747
[1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132526
1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid
CID 67255296
(6-chloropyrimidin-4-yl)-(1,4-dimethylindol-3-yl)methanone
CID 87604851
6-bromo-1-[1-(cyclohexylmethyl)indol-3-yl]hexan-1-one
CID 54439030
[1-(2-morpholin-4-ylethyl)indol-3-yl]-quinolin-6-ylmethanone
CID 10452672
1-[1-[3-[3-(2-cyclopropylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 71175664

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrimidin-4-yl)-[1-[3-(oxocan-4-yl)propyl]indol-3-yl]methanone?
The IUPAC name of (6-chloropyrimidin-4-yl)-[1-[3-(oxocan-4-yl)propyl]indol-3-yl]methanone (CID 143791438) is (6-chloropyrimidin-4-yl)-[1-[3-(oxocan-4-yl)propyl]indol-3-yl]methanone.
What is the SMILES notation for (6-chloropyrimidin-4-yl)-[1-[3-(oxocan-4-yl)propyl]indol-3-yl]methanone?
The canonical SMILES for (6-chloropyrimidin-4-yl)-[1-[3-(oxocan-4-yl)propyl]indol-3-yl]methanone is O=C(c1cc(Cl)ncn1)c1cn(CCCC2CCCCOCC2)c2ccccc12.
What is the InChIKey of (6-chloropyrimidin-4-yl)-[1-[3-(oxocan-4-yl)propyl]indol-3-yl]methanone?
The InChIKey is BWQPMGXEEMKCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c24-22-14-20(25-16-26-22)23(28)19-15-27(21-9-2-1-8-18(19)21)11-5-7-17-6-3-4-12-29-13-10-17/h1-2,8-9,14-17H,3-7,10-13H2.
What are the key properties of (6-chloropyrimidin-4-yl)-[1-[3-(oxocan-4-yl)propyl]indol-3-yl]methanone?
(6-chloropyrimidin-4-yl)-[1-[3-(oxocan-4-yl)propyl]indol-3-yl]methanone has a molecular weight of 411.93 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrimidin-4-yl)-[1-[3-(oxocan-4-yl)propyl]indol-3-yl]methanone is sourced from PubChem (CID 143791438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).