6-[(3-amino-5-fluoro-1H-indazol-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid

C24H15F2N5O4 — CID 44548908

IUPAC6-[(3-amino-5-fluoro-1H-indazol-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESNc1n[nH]c2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)c(F)cc12
InChIInChI=1S/C24H15F2N5O4/c25-14-7-13-16(29-30-22(13)27)6-10(14)9-31-17-8-15(26)11-3-5-35-21(11)19(17)18(20(31)24(33)34)12-2-1-4-28-23(12)32/h1-8H,9H2,(H,28,32)(H,33,34)(H3,27,29,30)
InChIKeyMAYKQIVAZAWCKJ-UHFFFAOYSA-N
MW475.41 g/mol
LogP4.23
Rot. Bonds4

About 6-[(3-amino-5-fluoro-1H-indazol-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid

6-[(3-amino-5-fluoro-1H-indazol-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 44548908) has the molecular formula C24H15F2N5O4 and a molecular weight of 475.41 g/mol. Its IUPAC name is 6-[(3-amino-5-fluoro-1H-indazol-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name6-[(3-amino-5-fluoro-1H-indazol-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
PubChem CID44548908
Molecular FormulaC24H15F2N5O4
Molecular Weight475.41 g/mol
Exact Mass475.11
IUPAC Name6-[(3-amino-5-fluoro-1H-indazol-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESNc1n[nH]c2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)c(F)cc12
InChIInChI=1S/C24H15F2N5O4/c25-14-7-13-16(29-30-22(13)27)6-10(14)9-31-17-8-15(26)11-3-5-35-21(11)19(17)18(20(31)24(33)34)12-2-1-4-28-23(12)32/h1-8H,9H2,(H,28,32)(H,33,34)(H3,27,29,30)
InChIKeyMAYKQIVAZAWCKJ-UHFFFAOYSA-N
XLogP4.23
TPSA142.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.41
LogP ≤ 54.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-amino-5-fluoro-1H-indazol-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 6-[(3-amino-5-fluoro-1H-indazol-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 44548908) is 6-[(3-amino-5-fluoro-1H-indazol-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for 6-[(3-amino-5-fluoro-1H-indazol-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 6-[(3-amino-5-fluoro-1H-indazol-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is Nc1n[nH]c2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)c(F)cc12.
What is the InChIKey of 6-[(3-amino-5-fluoro-1H-indazol-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The InChIKey is MAYKQIVAZAWCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2N5O4/c25-14-7-13-16(29-30-22(13)27)6-10(14)9-31-17-8-15(26)11-3-5-35-21(11)19(17)18(20(31)24(33)34)12-2-1-4-28-23(12)32/h1-8H,9H2,(H,28,32)(H,33,34)(H3,27,29,30).
What are the key properties of 6-[(3-amino-5-fluoro-1H-indazol-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
6-[(3-amino-5-fluoro-1H-indazol-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 475.41 g/mol, XLogP of 4.23, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-amino-5-fluoro-1H-indazol-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 44548908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).