methyl 2-[5-(1H-indazol-6-yl)pyrazol-1-yl]pyridine-4-carboxylate

C17H13N5O2 — CID 90205112

IUPACmethyl 2-[5-(1H-indazol-6-yl)pyrazol-1-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-n2nccc2-c2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C17H13N5O2/c1-24-17(23)12-4-6-18-16(9-12)22-15(5-7-20-22)11-2-3-13-10-19-21-14(13)8-11/h2-10H,1H3,(H,19,21)
InChIKeyQKJMHNHOXLPOSF-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.60
Rot. Bonds3

About methyl 2-[5-(1H-indazol-6-yl)pyrazol-1-yl]pyridine-4-carboxylate

methyl 2-[5-(1H-indazol-6-yl)pyrazol-1-yl]pyridine-4-carboxylate (PubChem CID 90205112) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is methyl 2-[5-(1H-indazol-6-yl)pyrazol-1-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[5-(1H-indazol-6-yl)pyrazol-1-yl]pyridine-4-carboxylate
PubChem CID90205112
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Namemethyl 2-[5-(1H-indazol-6-yl)pyrazol-1-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-n2nccc2-c2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C17H13N5O2/c1-24-17(23)12-4-6-18-16(9-12)22-15(5-7-20-22)11-2-3-13-10-19-21-14(13)8-11/h2-10H,1H3,(H,19,21)
InChIKeyQKJMHNHOXLPOSF-UHFFFAOYSA-N
XLogP2.60
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(1H-indazol-6-yl)pyrazol-1-yl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[5-(1H-indazol-6-yl)pyrazol-1-yl]pyridine-4-carboxylate (CID 90205112) is methyl 2-[5-(1H-indazol-6-yl)pyrazol-1-yl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[5-(1H-indazol-6-yl)pyrazol-1-yl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[5-(1H-indazol-6-yl)pyrazol-1-yl]pyridine-4-carboxylate is COC(=O)c1ccnc(-n2nccc2-c2ccc3cn[nH]c3c2)c1.
What is the InChIKey of methyl 2-[5-(1H-indazol-6-yl)pyrazol-1-yl]pyridine-4-carboxylate?
The InChIKey is QKJMHNHOXLPOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-24-17(23)12-4-6-18-16(9-12)22-15(5-7-20-22)11-2-3-13-10-19-21-14(13)8-11/h2-10H,1H3,(H,19,21).
What are the key properties of methyl 2-[5-(1H-indazol-6-yl)pyrazol-1-yl]pyridine-4-carboxylate?
methyl 2-[5-(1H-indazol-6-yl)pyrazol-1-yl]pyridine-4-carboxylate has a molecular weight of 319.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(1H-indazol-6-yl)pyrazol-1-yl]pyridine-4-carboxylate is sourced from PubChem (CID 90205112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).