3-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyrazole-5-carboxylic acid

C17H15FN4O3 — CID 162225471

IUPAC3-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyrazole-5-carboxylic acid
SMILESCc1ccc(F)c2[nH]c3c(c12)CN(C(=O)c1cc(C(=O)O)[nH]n1)CC3
InChIInChI=1S/C17H15FN4O3/c1-8-2-3-10(18)15-14(8)9-7-22(5-4-11(9)19-15)16(23)12-6-13(17(24)25)21-20-12/h2-3,6,19H,4-5,7H2,1H3,(H,20,21)(H,24,25)
InChIKeyZURVRCJGTCXGNC-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.24
Rot. Bonds2

About 3-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyrazole-5-carboxylic acid

3-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 162225471) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is 3-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyrazole-5-carboxylic acid
PubChem CID162225471
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC Name3-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyrazole-5-carboxylic acid
SMILESCc1ccc(F)c2[nH]c3c(c12)CN(C(=O)c1cc(C(=O)O)[nH]n1)CC3
InChIInChI=1S/C17H15FN4O3/c1-8-2-3-10(18)15-14(8)9-7-22(5-4-11(9)19-15)16(23)12-6-13(17(24)25)21-20-12/h2-3,6,19H,4-5,7H2,1H3,(H,20,21)(H,24,25)
InChIKeyZURVRCJGTCXGNC-UHFFFAOYSA-N
XLogP2.24
TPSA102.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyrazole-5-carboxylic acid (CID 162225471) is 3-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyrazole-5-carboxylic acid is Cc1ccc(F)c2[nH]c3c(c12)CN(C(=O)c1cc(C(=O)O)[nH]n1)CC3.
What is the InChIKey of 3-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is ZURVRCJGTCXGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c1-8-2-3-10(18)15-14(8)9-7-22(5-4-11(9)19-15)16(23)12-6-13(17(24)25)21-20-12/h2-3,6,19H,4-5,7H2,1H3,(H,20,21)(H,24,25).
What are the key properties of 3-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyrazole-5-carboxylic acid?
3-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 342.33 g/mol, XLogP of 2.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-9-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 162225471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).