methyl 1-(pyridin-3-ylmethyl)indazole-6-carboxylate

C15H13N3O2 — CID 169187998

IUPACmethyl 1-(pyridin-3-ylmethyl)indazole-6-carboxylate
SMILESCOC(=O)c1ccc2cnn(Cc3cccnc3)c2c1
InChIInChI=1S/C15H13N3O2/c1-20-15(19)12-4-5-13-9-17-18(14(13)7-12)10-11-3-2-6-16-8-11/h2-9H,10H2,1H3
InChIKeyOZIIBVCTWNXERP-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.27
Rot. Bonds3

About methyl 1-(pyridin-3-ylmethyl)indazole-6-carboxylate

methyl 1-(pyridin-3-ylmethyl)indazole-6-carboxylate (PubChem CID 169187998) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is methyl 1-(pyridin-3-ylmethyl)indazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-(pyridin-3-ylmethyl)indazole-6-carboxylate
PubChem CID169187998
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Namemethyl 1-(pyridin-3-ylmethyl)indazole-6-carboxylate
SMILESCOC(=O)c1ccc2cnn(Cc3cccnc3)c2c1
InChIInChI=1S/C15H13N3O2/c1-20-15(19)12-4-5-13-9-17-18(14(13)7-12)10-11-3-2-6-16-8-11/h2-9H,10H2,1H3
InChIKeyOZIIBVCTWNXERP-UHFFFAOYSA-N
XLogP2.27
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(pyridin-3-ylmethyl)indazol-6-yl]methanol
CID 90133560
methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
CID 58244225
methyl 4-[[5-amino-1-(pyridin-3-ylmethyl)pyrazol-4-yl]diazenyl]benzoate
CID 137001122
N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95056034
methyl 1-methyl-2,4-dioxo-3-(pyridin-3-ylmethyl)quinazoline-6-carboxylate
CID 174470959
methyl 4-(2-pyridin-3-ylethyl)benzoate
CID 19419104
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95073124
1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide
CID 95073139
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95073129
1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide
CID 53084634
N-[(3-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53034360

Frequently Asked Questions

What is the IUPAC name of methyl 1-(pyridin-3-ylmethyl)indazole-6-carboxylate?
The IUPAC name of methyl 1-(pyridin-3-ylmethyl)indazole-6-carboxylate (CID 169187998) is methyl 1-(pyridin-3-ylmethyl)indazole-6-carboxylate.
What is the SMILES notation for methyl 1-(pyridin-3-ylmethyl)indazole-6-carboxylate?
The canonical SMILES for methyl 1-(pyridin-3-ylmethyl)indazole-6-carboxylate is COC(=O)c1ccc2cnn(Cc3cccnc3)c2c1.
What is the InChIKey of methyl 1-(pyridin-3-ylmethyl)indazole-6-carboxylate?
The InChIKey is OZIIBVCTWNXERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-15(19)12-4-5-13-9-17-18(14(13)7-12)10-11-3-2-6-16-8-11/h2-9H,10H2,1H3.
What are the key properties of methyl 1-(pyridin-3-ylmethyl)indazole-6-carboxylate?
methyl 1-(pyridin-3-ylmethyl)indazole-6-carboxylate has a molecular weight of 267.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(pyridin-3-ylmethyl)indazole-6-carboxylate is sourced from PubChem (CID 169187998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).