1-(cyclopropylmethyl)-3-(6-methyl-2-pyridinyl)indazole-6-carboxylic acid

C18H17N3O2 — CID 162690964

IUPAC1-(cyclopropylmethyl)-3-(6-methyl-2-pyridinyl)indazole-6-carboxylic acid
SMILESCc1cccc(-c2nn(CC3CC3)c3cc(C(=O)O)ccc23)n1
InChIInChI=1S/C18H17N3O2/c1-11-3-2-4-15(19-11)17-14-8-7-13(18(22)23)9-16(14)21(20-17)10-12-5-6-12/h2-4,7-9,12H,5-6,10H2,1H3,(H,22,23)
InChIKeyGGHIBJKWODWVHM-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.51
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-(6-methyl-2-pyridinyl)indazole-6-carboxylic acid

1-(cyclopropylmethyl)-3-(6-methyl-2-pyridinyl)indazole-6-carboxylic acid (PubChem CID 162690964) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(6-methyl-2-pyridinyl)indazole-6-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(6-methyl-2-pyridinyl)indazole-6-carboxylic acid
PubChem CID162690964
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1-(cyclopropylmethyl)-3-(6-methyl-2-pyridinyl)indazole-6-carboxylic acid
SMILESCc1cccc(-c2nn(CC3CC3)c3cc(C(=O)O)ccc23)n1
InChIInChI=1S/C18H17N3O2/c1-11-3-2-4-15(19-11)17-14-8-7-13(18(22)23)9-16(14)21(20-17)10-12-5-6-12/h2-4,7-9,12H,5-6,10H2,1H3,(H,22,23)
InChIKeyGGHIBJKWODWVHM-UHFFFAOYSA-N
XLogP3.51
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(6-methyl-2-pyridinyl)indazole-6-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-3-(6-methyl-2-pyridinyl)indazole-6-carboxylic acid (CID 162690964) is 1-(cyclopropylmethyl)-3-(6-methyl-2-pyridinyl)indazole-6-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(6-methyl-2-pyridinyl)indazole-6-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(6-methyl-2-pyridinyl)indazole-6-carboxylic acid is Cc1cccc(-c2nn(CC3CC3)c3cc(C(=O)O)ccc23)n1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(6-methyl-2-pyridinyl)indazole-6-carboxylic acid?
The InChIKey is GGHIBJKWODWVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-3-2-4-15(19-11)17-14-8-7-13(18(22)23)9-16(14)21(20-17)10-12-5-6-12/h2-4,7-9,12H,5-6,10H2,1H3,(H,22,23).
What are the key properties of 1-(cyclopropylmethyl)-3-(6-methyl-2-pyridinyl)indazole-6-carboxylic acid?
1-(cyclopropylmethyl)-3-(6-methyl-2-pyridinyl)indazole-6-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(6-methyl-2-pyridinyl)indazole-6-carboxylic acid is sourced from PubChem (CID 162690964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).