2-cyclopropyl-7-methoxy-4-pyridin-4-ylindazole

C16H15N3O — CID 175435815

IUPAC2-cyclopropyl-7-methoxy-4-pyridin-4-ylindazole
SMILESCOc1ccc(-c2ccncc2)c2cn(C3CC3)nc12
InChIInChI=1S/C16H15N3O/c1-20-15-5-4-13(11-6-8-17-9-7-11)14-10-19(12-2-3-12)18-16(14)15/h4-10,12H,2-3H2,1H3
InChIKeySIMMXVFHYXYRPC-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.44
Rot. Bonds3

About 2-cyclopropyl-7-methoxy-4-pyridin-4-ylindazole

2-cyclopropyl-7-methoxy-4-pyridin-4-ylindazole (PubChem CID 175435815) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-cyclopropyl-7-methoxy-4-pyridin-4-ylindazole.

Molecular Properties

Compound Name2-cyclopropyl-7-methoxy-4-pyridin-4-ylindazole
PubChem CID175435815
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-cyclopropyl-7-methoxy-4-pyridin-4-ylindazole
SMILESCOc1ccc(-c2ccncc2)c2cn(C3CC3)nc12
InChIInChI=1S/C16H15N3O/c1-20-15-5-4-13(11-6-8-17-9-7-11)14-10-19(12-2-3-12)18-16(14)15/h4-10,12H,2-3H2,1H3
InChIKeySIMMXVFHYXYRPC-UHFFFAOYSA-N
XLogP3.44
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-methoxy-4-pyridin-4-ylindazole?
The IUPAC name of 2-cyclopropyl-7-methoxy-4-pyridin-4-ylindazole (CID 175435815) is 2-cyclopropyl-7-methoxy-4-pyridin-4-ylindazole.
What is the SMILES notation for 2-cyclopropyl-7-methoxy-4-pyridin-4-ylindazole?
The canonical SMILES for 2-cyclopropyl-7-methoxy-4-pyridin-4-ylindazole is COc1ccc(-c2ccncc2)c2cn(C3CC3)nc12.
What is the InChIKey of 2-cyclopropyl-7-methoxy-4-pyridin-4-ylindazole?
The InChIKey is SIMMXVFHYXYRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-15-5-4-13(11-6-8-17-9-7-11)14-10-19(12-2-3-12)18-16(14)15/h4-10,12H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-7-methoxy-4-pyridin-4-ylindazole?
2-cyclopropyl-7-methoxy-4-pyridin-4-ylindazole has a molecular weight of 265.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-methoxy-4-pyridin-4-ylindazole is sourced from PubChem (CID 175435815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).