7-fluoro-2-pyridin-3-ylindazole-4-carboxylic acid;2-methylpentan-2-amine

C19H23FN4O2 — CID 167604448

IUPAC7-fluoro-2-pyridin-3-ylindazole-4-carboxylic acid;2-methylpentan-2-amine
SMILESCCCC(C)(C)N.O=C(O)c1ccc(F)c2nn(-c3cccnc3)cc12
InChIInChI=1S/C13H8FN3O2.C6H15N/c14-11-4-3-9(13(18)19)10-7-17(16-12(10)11)8-2-1-5-15-6-8;1-4-5-6(2,3)7/h1-7H,(H,18,19);4-5,7H2,1-3H3
InChIKeyKENGXCBPHFQYBX-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.78
Rot. Bonds4

About 7-fluoro-2-pyridin-3-ylindazole-4-carboxylic acid;2-methylpentan-2-amine

7-fluoro-2-pyridin-3-ylindazole-4-carboxylic acid;2-methylpentan-2-amine (PubChem CID 167604448) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 7-fluoro-2-pyridin-3-ylindazole-4-carboxylic acid;2-methylpentan-2-amine.

Molecular Properties

Compound Name7-fluoro-2-pyridin-3-ylindazole-4-carboxylic acid;2-methylpentan-2-amine
PubChem CID167604448
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name7-fluoro-2-pyridin-3-ylindazole-4-carboxylic acid;2-methylpentan-2-amine
SMILESCCCC(C)(C)N.O=C(O)c1ccc(F)c2nn(-c3cccnc3)cc12
InChIInChI=1S/C13H8FN3O2.C6H15N/c14-11-4-3-9(13(18)19)10-7-17(16-12(10)11)8-2-1-5-15-6-8;1-4-5-6(2,3)7/h1-7H,(H,18,19);4-5,7H2,1-3H3
InChIKeyKENGXCBPHFQYBX-UHFFFAOYSA-N
XLogP3.78
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-pyridin-3-ylindazole-4-carboxylic acid;2-methylpentan-2-amine?
The IUPAC name of 7-fluoro-2-pyridin-3-ylindazole-4-carboxylic acid;2-methylpentan-2-amine (CID 167604448) is 7-fluoro-2-pyridin-3-ylindazole-4-carboxylic acid;2-methylpentan-2-amine.
What is the SMILES notation for 7-fluoro-2-pyridin-3-ylindazole-4-carboxylic acid;2-methylpentan-2-amine?
The canonical SMILES for 7-fluoro-2-pyridin-3-ylindazole-4-carboxylic acid;2-methylpentan-2-amine is CCCC(C)(C)N.O=C(O)c1ccc(F)c2nn(-c3cccnc3)cc12.
What is the InChIKey of 7-fluoro-2-pyridin-3-ylindazole-4-carboxylic acid;2-methylpentan-2-amine?
The InChIKey is KENGXCBPHFQYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2.C6H15N/c14-11-4-3-9(13(18)19)10-7-17(16-12(10)11)8-2-1-5-15-6-8;1-4-5-6(2,3)7/h1-7H,(H,18,19);4-5,7H2,1-3H3.
What are the key properties of 7-fluoro-2-pyridin-3-ylindazole-4-carboxylic acid;2-methylpentan-2-amine?
7-fluoro-2-pyridin-3-ylindazole-4-carboxylic acid;2-methylpentan-2-amine has a molecular weight of 358.42 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-pyridin-3-ylindazole-4-carboxylic acid;2-methylpentan-2-amine is sourced from PubChem (CID 167604448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).