(3-methoxy-2-methylindazol-6-yl)-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone

C16H18N6O2 — CID 126857917

IUPAC(3-methoxy-2-methylindazol-6-yl)-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone
SMILESCOc1c2ccc(C(=O)N3CC(Cn4ccnn4)C3)cc2nn1C
InChIInChI=1S/C16H18N6O2/c1-20-16(24-2)13-4-3-12(7-14(13)18-20)15(23)21-8-11(9-21)10-22-6-5-17-19-22/h3-7,11H,8-10H2,1-2H3
InChIKeyGNDZMSYAEYZEEQ-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.95
Rot. Bonds4

About (3-methoxy-2-methylindazol-6-yl)-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone

(3-methoxy-2-methylindazol-6-yl)-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone (PubChem CID 126857917) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is (3-methoxy-2-methylindazol-6-yl)-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-2-methylindazol-6-yl)-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone
PubChem CID126857917
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name(3-methoxy-2-methylindazol-6-yl)-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone
SMILESCOc1c2ccc(C(=O)N3CC(Cn4ccnn4)C3)cc2nn1C
InChIInChI=1S/C16H18N6O2/c1-20-16(24-2)13-4-3-12(7-14(13)18-20)15(23)21-8-11(9-21)10-22-6-5-17-19-22/h3-7,11H,8-10H2,1-2H3
InChIKeyGNDZMSYAEYZEEQ-UHFFFAOYSA-N
XLogP0.95
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[1-(3-methoxy-2-methylindazole-6-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929639
(3-methoxy-2-methylindazol-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone
CID 90593436
(3-methoxy-2-methylindazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
CID 72719017
1H-indol-5-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone
CID 126857921
7-[3-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 167962226
3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940655
6-tert-butyl-3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944296
(3-methoxy-2-methylindazol-6-yl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617259
(4-benzhydrylpiperazin-1-yl)-(3-methoxy-2-methylindazol-6-yl)methanone
CID 90609112
4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 90540785
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxy-2-methylindazol-6-yl)methanone
CID 90609235
5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 90540539

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2-methylindazol-6-yl)-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone?
The IUPAC name of (3-methoxy-2-methylindazol-6-yl)-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone (CID 126857917) is (3-methoxy-2-methylindazol-6-yl)-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone.
What is the SMILES notation for (3-methoxy-2-methylindazol-6-yl)-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone?
The canonical SMILES for (3-methoxy-2-methylindazol-6-yl)-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone is COc1c2ccc(C(=O)N3CC(Cn4ccnn4)C3)cc2nn1C.
What is the InChIKey of (3-methoxy-2-methylindazol-6-yl)-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone?
The InChIKey is GNDZMSYAEYZEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-20-16(24-2)13-4-3-12(7-14(13)18-20)15(23)21-8-11(9-21)10-22-6-5-17-19-22/h3-7,11H,8-10H2,1-2H3.
What are the key properties of (3-methoxy-2-methylindazol-6-yl)-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone?
(3-methoxy-2-methylindazol-6-yl)-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone has a molecular weight of 326.36 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-methylindazol-6-yl)-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 126857917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).