3-cyclohexyl-N-cyclopropylsulfonyl-1-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)indole-6-carboxamide

C27H33N5O4S — CID 155548729

IUPAC3-cyclohexyl-N-cyclopropylsulfonyl-1-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)indole-6-carboxamide
SMILESCn1c(-c2cnc(N3CCOCC3)nc2)c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21
InChIInChI=1S/C27H33N5O4S/c1-31-23-15-19(26(33)30-37(34,35)21-8-9-21)7-10-22(23)24(18-5-3-2-4-6-18)25(31)20-16-28-27(29-17-20)32-11-13-36-14-12-32/h7,10,15-18,21H,2-6,8-9,11-14H2,1H3,(H,30,33)
InChIKeySNJXDEQKKQKJQY-UHFFFAOYSA-N
MW523.66 g/mol
LogP3.74
Rot. Bonds6

About 3-cyclohexyl-N-cyclopropylsulfonyl-1-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)indole-6-carboxamide

3-cyclohexyl-N-cyclopropylsulfonyl-1-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)indole-6-carboxamide (PubChem CID 155548729) has the molecular formula C27H33N5O4S and a molecular weight of 523.66 g/mol. Its IUPAC name is 3-cyclohexyl-N-cyclopropylsulfonyl-1-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)indole-6-carboxamide.

Molecular Properties

Compound Name3-cyclohexyl-N-cyclopropylsulfonyl-1-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)indole-6-carboxamide
PubChem CID155548729
Molecular FormulaC27H33N5O4S
Molecular Weight523.66 g/mol
Exact Mass523.23
IUPAC Name3-cyclohexyl-N-cyclopropylsulfonyl-1-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)indole-6-carboxamide
SMILESCn1c(-c2cnc(N3CCOCC3)nc2)c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21
InChIInChI=1S/C27H33N5O4S/c1-31-23-15-19(26(33)30-37(34,35)21-8-9-21)7-10-22(23)24(18-5-3-2-4-6-18)25(31)20-16-28-27(29-17-20)32-11-13-36-14-12-32/h7,10,15-18,21H,2-6,8-9,11-14H2,1H3,(H,30,33)
InChIKeySNJXDEQKKQKJQY-UHFFFAOYSA-N
XLogP3.74
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.66
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-cyclohexyl-2-(furan-3-yl)-N-methylsulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide
CID 10075164
1-[[3-cyclohexyl-6-(cyclopropylsulfonylcarbamoyl)-2-(4-methoxyphenyl)indol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 66595031
N-tert-butylsulfonyl-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide
CID 71816842
ethane;methyl 3-cyclohexyl-1-methyl-2-(1,3-oxazol-5-yl)indole-6-carboxylate
CID 142207585
3-cyclohexyl-N-cyclopentylsulfonyl-2-(4-methoxyphenyl)-1-[[1-[(1S,5R)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carbonyl]cyclopropyl]methyl]indole-6-carboxamide
CID 71064704
methyl 1-[[3-cyclohexyl-6-(cyclopentylsulfonylcarbamoyl)-2-(4-methoxyphenyl)indol-1-yl]methyl]cyclopropane-1-carboxylate
CID 70642501
3-cyclohexyl-2-(furan-3-yl)-1-methyl-N-(2H-tetrazol-5-ylmethyl)indole-6-carboxamide
CID 11246698
3-cyclohexyl-2-(furan-3-yl)-N-methylsulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide;3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carbonyl chloride;3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid
CID 158147564
(10Z)-11-cyclohexyl-10-ethylidene-N-(1-methylimidazol-4-yl)sulfonyl-9-methylimino-7,8-dihydro-6H-azepino[1,2-a]indole-3-carboxamide
CID 143523516
methyl 3-cyclopentyl-2-(4-methoxyphenyl)-1-methylindole-6-carboxylate
CID 59127758
1-[2-(5-chloropyrimidin-2-yl)-3-cyclopentyl-1-methylindol-6-yl]ethanone;ethane
CID 143166821
13-cyclohexyl-N-cyclopropylsulfonyl-3-hydroxy-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 71064696

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-cyclopropylsulfonyl-1-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)indole-6-carboxamide?
The IUPAC name of 3-cyclohexyl-N-cyclopropylsulfonyl-1-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)indole-6-carboxamide (CID 155548729) is 3-cyclohexyl-N-cyclopropylsulfonyl-1-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)indole-6-carboxamide.
What is the SMILES notation for 3-cyclohexyl-N-cyclopropylsulfonyl-1-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)indole-6-carboxamide?
The canonical SMILES for 3-cyclohexyl-N-cyclopropylsulfonyl-1-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)indole-6-carboxamide is Cn1c(-c2cnc(N3CCOCC3)nc2)c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21.
What is the InChIKey of 3-cyclohexyl-N-cyclopropylsulfonyl-1-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)indole-6-carboxamide?
The InChIKey is SNJXDEQKKQKJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4S/c1-31-23-15-19(26(33)30-37(34,35)21-8-9-21)7-10-22(23)24(18-5-3-2-4-6-18)25(31)20-16-28-27(29-17-20)32-11-13-36-14-12-32/h7,10,15-18,21H,2-6,8-9,11-14H2,1H3,(H,30,33).
What are the key properties of 3-cyclohexyl-N-cyclopropylsulfonyl-1-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)indole-6-carboxamide?
3-cyclohexyl-N-cyclopropylsulfonyl-1-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)indole-6-carboxamide has a molecular weight of 523.66 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-cyclopropylsulfonyl-1-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)indole-6-carboxamide is sourced from PubChem (CID 155548729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).