6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole

C16H13N5O — CID 58203286

IUPAC6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole
SMILESCOc1ccc2cc(-c3ccc(-n4cncn4)nc3)[nH]c2c1
InChIInChI=1S/C16H13N5O/c1-22-13-4-2-11-6-14(20-15(11)7-13)12-3-5-16(18-8-12)21-10-17-9-19-21/h2-10,20H,1H3
InChIKeyOKVGCPVRVJYZHK-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.82
Rot. Bonds3

About 6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole

6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole (PubChem CID 58203286) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole.

Molecular Properties

Compound Name6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole
PubChem CID58203286
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole
SMILESCOc1ccc2cc(-c3ccc(-n4cncn4)nc3)[nH]c2c1
InChIInChI=1S/C16H13N5O/c1-22-13-4-2-11-6-14(20-15(11)7-13)12-3-5-16(18-8-12)21-10-17-9-19-21/h2-10,20H,1H3
InChIKeyOKVGCPVRVJYZHK-UHFFFAOYSA-N
XLogP2.82
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole
CID 44553765
2-[1-[5-(5-methoxy-1H-indol-2-yl)-2-pyridinyl]piperidin-4-yl]ethanol
CID 146171993
4-tert-butyl-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole
CID 2746819
6-fluoro-2-(6-piperidin-1-yl-3-pyridinyl)-1H-indole
CID 172593034
3-(6-methoxy-1H-indol-2-yl)-1,2-oxazol-5-amine
CID 136985615
4-[5-[6-chloro-5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]thiomorpholine
CID 146469069
5-(6-methoxy-1H-indol-2-yl)-1,2,4-triazin-3-amine
CID 82387503
N'-methoxy-N-[4-(6-methoxy-1H-indol-2-yl)phenyl]propane-1,3-diamine
CID 143184285
(6-methoxy-1H-indol-2-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
CID 90491605
7-(6-methoxy-1H-indol-2-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346086
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4-methoxyphenoxy)phenyl]-1H-indole
CID 46228784
N-(4-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168353

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole?
The IUPAC name of 6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole (CID 58203286) is 6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole.
What is the SMILES notation for 6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole?
The canonical SMILES for 6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole is COc1ccc2cc(-c3ccc(-n4cncn4)nc3)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole?
The InChIKey is OKVGCPVRVJYZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-22-13-4-2-11-6-14(20-15(11)7-13)12-3-5-16(18-8-12)21-10-17-9-19-21/h2-10,20H,1H3.
What are the key properties of 6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole?
6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole has a molecular weight of 291.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole is sourced from PubChem (CID 58203286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).