6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid

C22H15F2N5O3 — CID 59490944

IUPAC6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESCc1nc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3cc4cn[nH]c4cc3F)c2cc1F
InChIInChI=1S/C22H15F2N5O3/c1-10-14(23)7-17-19(27-10)18(13-3-2-4-25-21(13)30)20(22(31)32)29(17)9-12-5-11-8-26-28-16(11)6-15(12)24/h2-8H,9H2,1H3,(H,25,30)(H,26,28)(H,31,32)
InChIKeyUOKHEYAOBLNYHZ-UHFFFAOYSA-N
MW435.39 g/mol
LogP3.60
Rot. Bonds4

About 6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid

6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid (PubChem CID 59490944) has the molecular formula C22H15F2N5O3 and a molecular weight of 435.39 g/mol. Its IUPAC name is 6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid
PubChem CID59490944
Molecular FormulaC22H15F2N5O3
Molecular Weight435.39 g/mol
Exact Mass435.11
IUPAC Name6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESCc1nc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3cc4cn[nH]c4cc3F)c2cc1F
InChIInChI=1S/C22H15F2N5O3/c1-10-14(23)7-17-19(27-10)18(13-3-2-4-25-21(13)30)20(22(31)32)29(17)9-12-5-11-8-26-28-16(11)6-15(12)24/h2-8H,9H2,1H3,(H,25,30)(H,26,28)(H,31,32)
InChIKeyUOKHEYAOBLNYHZ-UHFFFAOYSA-N
XLogP3.60
TPSA116.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.39
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid (CID 59490944) is 6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid is Cc1nc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3cc4cn[nH]c4cc3F)c2cc1F.
What is the InChIKey of 6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is UOKHEYAOBLNYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N5O3/c1-10-14(23)7-17-19(27-10)18(13-3-2-4-25-21(13)30)20(22(31)32)29(17)9-12-5-11-8-26-28-16(11)6-15(12)24/h2-8H,9H2,1H3,(H,25,30)(H,26,28)(H,31,32).
What are the key properties of 6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid?
6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 435.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 59490944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).