2-butan-2-yl-3-[[6-(2,3-dihydro-1H-tetrazol-5-yl)-2-pyridinyl]methyl]-6-methoxy-1H-indole

C20H24N6O — CID 90359439

IUPAC2-butan-2-yl-3-[[6-(2,3-dihydro-1H-tetrazol-5-yl)-2-pyridinyl]methyl]-6-methoxy-1H-indole
SMILESCCC(C)c1[nH]c2cc(OC)ccc2c1Cc1cccc(C2=NNNN2)n1
InChIInChI=1S/C20H24N6O/c1-4-12(2)19-16(15-9-8-14(27-3)11-18(15)22-19)10-13-6-5-7-17(21-13)20-23-25-26-24-20/h5-9,11-12,22,25-26H,4,10H2,1-3H3,(H,23,24)
InChIKeyILGMHUDKYBIFMA-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.95
Rot. Bonds6

About 2-butan-2-yl-3-[[6-(2,3-dihydro-1H-tetrazol-5-yl)-2-pyridinyl]methyl]-6-methoxy-1H-indole

2-butan-2-yl-3-[[6-(2,3-dihydro-1H-tetrazol-5-yl)-2-pyridinyl]methyl]-6-methoxy-1H-indole (PubChem CID 90359439) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-butan-2-yl-3-[[6-(2,3-dihydro-1H-tetrazol-5-yl)-2-pyridinyl]methyl]-6-methoxy-1H-indole.

Molecular Properties

Compound Name2-butan-2-yl-3-[[6-(2,3-dihydro-1H-tetrazol-5-yl)-2-pyridinyl]methyl]-6-methoxy-1H-indole
PubChem CID90359439
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-butan-2-yl-3-[[6-(2,3-dihydro-1H-tetrazol-5-yl)-2-pyridinyl]methyl]-6-methoxy-1H-indole
SMILESCCC(C)c1[nH]c2cc(OC)ccc2c1Cc1cccc(C2=NNNN2)n1
InChIInChI=1S/C20H24N6O/c1-4-12(2)19-16(15-9-8-14(27-3)11-18(15)22-19)10-13-6-5-7-17(21-13)20-23-25-26-24-20/h5-9,11-12,22,25-26H,4,10H2,1-3H3,(H,23,24)
InChIKeyILGMHUDKYBIFMA-UHFFFAOYSA-N
XLogP2.95
TPSA86.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-butan-2-yl-3-[[6-(2,3-dihydro-1H-tetrazol-5-yl)-2-pyridinyl]methyl]-6-methoxy-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

6-[(2-butan-2-yl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 69097215
3-[[5-(2,3-dihydro-1H-tetrazol-5-yl)furan-2-yl]methyl]-6-methoxy-2-phenyl-1H-indole
CID 90359445
[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]methanol
CID 86703303
3-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-2H-1,2,4-oxadiazole-5-thione
CID 86703292
1-(6-methoxy-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine
CID 84740972
2-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]acetonitrile
CID 86703304
6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 50903301
methyl 6-[(2-cyclopropyl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 69097116
6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 68755330
6-[[6-methoxy-2-(2-methylfuran-3-yl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 69096906
3-chloro-6-methoxy-2-propan-2-yl-1H-indole
CID 166668036
6-[(5-chloro-6-methoxy-2-propan-2-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 68758001

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-3-[[6-(2,3-dihydro-1H-tetrazol-5-yl)-2-pyridinyl]methyl]-6-methoxy-1H-indole?
The IUPAC name of 2-butan-2-yl-3-[[6-(2,3-dihydro-1H-tetrazol-5-yl)-2-pyridinyl]methyl]-6-methoxy-1H-indole (CID 90359439) is 2-butan-2-yl-3-[[6-(2,3-dihydro-1H-tetrazol-5-yl)-2-pyridinyl]methyl]-6-methoxy-1H-indole.
What is the SMILES notation for 2-butan-2-yl-3-[[6-(2,3-dihydro-1H-tetrazol-5-yl)-2-pyridinyl]methyl]-6-methoxy-1H-indole?
The canonical SMILES for 2-butan-2-yl-3-[[6-(2,3-dihydro-1H-tetrazol-5-yl)-2-pyridinyl]methyl]-6-methoxy-1H-indole is CCC(C)c1[nH]c2cc(OC)ccc2c1Cc1cccc(C2=NNNN2)n1.
What is the InChIKey of 2-butan-2-yl-3-[[6-(2,3-dihydro-1H-tetrazol-5-yl)-2-pyridinyl]methyl]-6-methoxy-1H-indole?
The InChIKey is ILGMHUDKYBIFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-4-12(2)19-16(15-9-8-14(27-3)11-18(15)22-19)10-13-6-5-7-17(21-13)20-23-25-26-24-20/h5-9,11-12,22,25-26H,4,10H2,1-3H3,(H,23,24).
What are the key properties of 2-butan-2-yl-3-[[6-(2,3-dihydro-1H-tetrazol-5-yl)-2-pyridinyl]methyl]-6-methoxy-1H-indole?
2-butan-2-yl-3-[[6-(2,3-dihydro-1H-tetrazol-5-yl)-2-pyridinyl]methyl]-6-methoxy-1H-indole has a molecular weight of 364.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-3-[[6-(2,3-dihydro-1H-tetrazol-5-yl)-2-pyridinyl]methyl]-6-methoxy-1H-indole is sourced from PubChem (CID 90359439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).