3-cyclohexyl-2-(furan-3-yl)-1-methyl-N-(2H-tetrazol-5-ylmethyl)indole-6-carboxamide

C22H24N6O2 — CID 11246698

IUPAC3-cyclohexyl-2-(furan-3-yl)-1-methyl-N-(2H-tetrazol-5-ylmethyl)indole-6-carboxamide
SMILESCn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)NCc3nn[nH]n3)cc21
InChIInChI=1S/C22H24N6O2/c1-28-18-11-15(22(29)23-12-19-24-26-27-25-19)7-8-17(18)20(14-5-3-2-4-6-14)21(28)16-9-10-30-13-16/h7-11,13-14H,2-6,12H2,1H3,(H,23,29)(H,24,25,26,27)
InChIKeyXRWLFHDDYDRQIE-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.93
Rot. Bonds5

About 3-cyclohexyl-2-(furan-3-yl)-1-methyl-N-(2H-tetrazol-5-ylmethyl)indole-6-carboxamide

3-cyclohexyl-2-(furan-3-yl)-1-methyl-N-(2H-tetrazol-5-ylmethyl)indole-6-carboxamide (PubChem CID 11246698) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-cyclohexyl-2-(furan-3-yl)-1-methyl-N-(2H-tetrazol-5-ylmethyl)indole-6-carboxamide.

Molecular Properties

Compound Name3-cyclohexyl-2-(furan-3-yl)-1-methyl-N-(2H-tetrazol-5-ylmethyl)indole-6-carboxamide
PubChem CID11246698
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name3-cyclohexyl-2-(furan-3-yl)-1-methyl-N-(2H-tetrazol-5-ylmethyl)indole-6-carboxamide
SMILESCn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)NCc3nn[nH]n3)cc21
InChIInChI=1S/C22H24N6O2/c1-28-18-11-15(22(29)23-12-19-24-26-27-25-19)7-8-17(18)20(14-5-3-2-4-6-14)21(28)16-9-10-30-13-16/h7-11,13-14H,2-6,12H2,1H3,(H,23,29)(H,24,25,26,27)
InChIKeyXRWLFHDDYDRQIE-UHFFFAOYSA-N
XLogP3.93
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylate
CID 58866261
(E)-3-[4-[[2-[[3-cyclohexyl-2-(furan-3-yl)-1-methylindole-6-carbonyl]amino]-2-methylpropanoyl]amino]phenyl]prop-2-enoic acid
CID 54586630
(E)-3-[4-[[1-[[3-cyclohexyl-2-(furan-3-yl)-1-methylindole-6-carbonyl]amino]cyclobutanecarbonyl]amino]phenyl]prop-2-enoic acid
CID 71589582
3-cyclohexyl-2-(furan-3-yl)-1-(2-hydroxyethyl)indole-6-carboxylic acid
CID 46232833
1-(2-amino-2-oxoethyl)-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid
CID 46232957
3-cyclopentyl-N-[1-[5-ethyl-1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(furan-3-yl)-1-methylindole-6-carboxamide
CID 88976455
3-cyclohexyl-2-(furan-3-yl)-N-methylsulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide
CID 10075164
1-benzyl-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid
CID 46232750
1-(3-cycloheptyl-1-methyl-2-phenylindol-6-yl)ethenol
CID 142999777
methyl 3-cyclopentyl-2-(4-methoxyphenyl)-1-methylindole-6-carboxylate
CID 59127758
3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)-N-[2-(2H-tetrazol-5-yl)ethyl]indole-6-carboxamide
CID 58710292
N-tert-butylsulfonyl-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide
CID 71816842

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(furan-3-yl)-1-methyl-N-(2H-tetrazol-5-ylmethyl)indole-6-carboxamide?
The IUPAC name of 3-cyclohexyl-2-(furan-3-yl)-1-methyl-N-(2H-tetrazol-5-ylmethyl)indole-6-carboxamide (CID 11246698) is 3-cyclohexyl-2-(furan-3-yl)-1-methyl-N-(2H-tetrazol-5-ylmethyl)indole-6-carboxamide.
What is the SMILES notation for 3-cyclohexyl-2-(furan-3-yl)-1-methyl-N-(2H-tetrazol-5-ylmethyl)indole-6-carboxamide?
The canonical SMILES for 3-cyclohexyl-2-(furan-3-yl)-1-methyl-N-(2H-tetrazol-5-ylmethyl)indole-6-carboxamide is Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)NCc3nn[nH]n3)cc21.
What is the InChIKey of 3-cyclohexyl-2-(furan-3-yl)-1-methyl-N-(2H-tetrazol-5-ylmethyl)indole-6-carboxamide?
The InChIKey is XRWLFHDDYDRQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-28-18-11-15(22(29)23-12-19-24-26-27-25-19)7-8-17(18)20(14-5-3-2-4-6-14)21(28)16-9-10-30-13-16/h7-11,13-14H,2-6,12H2,1H3,(H,23,29)(H,24,25,26,27).
What are the key properties of 3-cyclohexyl-2-(furan-3-yl)-1-methyl-N-(2H-tetrazol-5-ylmethyl)indole-6-carboxamide?
3-cyclohexyl-2-(furan-3-yl)-1-methyl-N-(2H-tetrazol-5-ylmethyl)indole-6-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(furan-3-yl)-1-methyl-N-(2H-tetrazol-5-ylmethyl)indole-6-carboxamide is sourced from PubChem (CID 11246698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).