methyl 2-(oxan-4-yl)indazole-6-carboxylate

C14H16N2O3 — CID 137377490

IUPACmethyl 2-(oxan-4-yl)indazole-6-carboxylate
SMILESCOC(=O)c1ccc2cn(C3CCOCC3)nc2c1
InChIInChI=1S/C14H16N2O3/c1-18-14(17)10-2-3-11-9-16(15-13(11)8-10)12-4-6-19-7-5-12/h2-3,8-9,12H,4-7H2,1H3
InChIKeyIPPRIXVKRDJONP-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.17
Rot. Bonds2

About methyl 2-(oxan-4-yl)indazole-6-carboxylate

methyl 2-(oxan-4-yl)indazole-6-carboxylate (PubChem CID 137377490) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 2-(oxan-4-yl)indazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(oxan-4-yl)indazole-6-carboxylate
PubChem CID137377490
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 2-(oxan-4-yl)indazole-6-carboxylate
SMILESCOC(=O)c1ccc2cn(C3CCOCC3)nc2c1
InChIInChI=1S/C14H16N2O3/c1-18-14(17)10-2-3-11-9-16(15-13(11)8-10)12-4-6-19-7-5-12/h2-3,8-9,12H,4-7H2,1H3
InChIKeyIPPRIXVKRDJONP-UHFFFAOYSA-N
XLogP2.17
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-cyclopentylindazole-6-carboxylate
CID 54059647
methyl 6-[(4-methoxyphenyl)methoxy]-2-(oxan-4-yl)indazole-5-carboxylate
CID 155438450
methyl 2-methoxyindazole-6-carboxylate
CID 141268418
methyl 2-[4-[(2R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]indazole-6-carboxylate
CID 175973045
methyl 2-(oxan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxylate
CID 155438556
methyl 4-[6-(difluoromethyl)indazol-2-yl]cyclohexane-1-carboxylate
CID 155437767
methyl 9-(oxan-4-yl)carbazole-3-carboxylate
CID 59626411
N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 137377583
5-bromo-6-methyl-2-(oxan-4-yl)indazole
CID 178165259
6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide
CID 137377513
methyl 4-[(3-bromobenzoyl)amino]-1-(oxan-4-yl)pyrazole-3-carboxylate
CID 122445380
methyl 2-(3-piperazin-1-yl-1-bicyclo[1.1.1]pentanyl)indazole-6-carboxylate
CID 175973005

Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxan-4-yl)indazole-6-carboxylate?
The IUPAC name of methyl 2-(oxan-4-yl)indazole-6-carboxylate (CID 137377490) is methyl 2-(oxan-4-yl)indazole-6-carboxylate.
What is the SMILES notation for methyl 2-(oxan-4-yl)indazole-6-carboxylate?
The canonical SMILES for methyl 2-(oxan-4-yl)indazole-6-carboxylate is COC(=O)c1ccc2cn(C3CCOCC3)nc2c1.
What is the InChIKey of methyl 2-(oxan-4-yl)indazole-6-carboxylate?
The InChIKey is IPPRIXVKRDJONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-14(17)10-2-3-11-9-16(15-13(11)8-10)12-4-6-19-7-5-12/h2-3,8-9,12H,4-7H2,1H3.
What are the key properties of methyl 2-(oxan-4-yl)indazole-6-carboxylate?
methyl 2-(oxan-4-yl)indazole-6-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxan-4-yl)indazole-6-carboxylate is sourced from PubChem (CID 137377490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).