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

C24H16FN5O5 — CID 59283565

IUPAC4-fluoro-6-[(4-methyl-5-oxo-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESCn1c(=O)cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c2[nH]cnc21
InChIInChI=1S/C24H16FN5O5/c1-29-16(31)7-11(19-22(29)28-10-27-19)9-30-15-8-14(25)12-4-6-35-21(12)18(15)17(20(30)24(33)34)13-3-2-5-26-23(13)32/h2-8,10H,9H2,1H3,(H,26,32)(H,27,28)(H,33,34)
InChIKeyLDMJCPLWXHZBOZ-UHFFFAOYSA-N
MW473.42 g/mol
LogP3.20
Rot. Bonds4

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

4-fluoro-6-[(4-methyl-5-oxo-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 59283565) has the molecular formula C24H16FN5O5 and a molecular weight of 473.42 g/mol. Its IUPAC name is 4-fluoro-6-[(4-methyl-5-oxo-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-6-[(4-methyl-5-oxo-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
PubChem CID59283565
Molecular FormulaC24H16FN5O5
Molecular Weight473.42 g/mol
Exact Mass473.11
IUPAC Name4-fluoro-6-[(4-methyl-5-oxo-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESCn1c(=O)cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c2[nH]cnc21
InChIInChI=1S/C24H16FN5O5/c1-29-16(31)7-11(19-22(29)28-10-27-19)9-30-15-8-14(25)12-4-6-35-21(12)18(15)17(20(30)24(33)34)13-3-2-5-26-23(13)32/h2-8,10H,9H2,1H3,(H,26,32)(H,27,28)(H,33,34)
InChIKeyLDMJCPLWXHZBOZ-UHFFFAOYSA-N
XLogP3.20
TPSA138.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.42
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-fluoro-6-[(4-methyl-5-oxo-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[(4-methyl-5-oxo-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 4-fluoro-6-[(4-methyl-5-oxo-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 59283565) is 4-fluoro-6-[(4-methyl-5-oxo-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for 4-fluoro-6-[(4-methyl-5-oxo-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 4-fluoro-6-[(4-methyl-5-oxo-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is Cn1c(=O)cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c2[nH]cnc21.
What is the InChIKey of 4-fluoro-6-[(4-methyl-5-oxo-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The InChIKey is LDMJCPLWXHZBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN5O5/c1-29-16(31)7-11(19-22(29)28-10-27-19)9-30-15-8-14(25)12-4-6-35-21(12)18(15)17(20(30)24(33)34)13-3-2-5-26-23(13)32/h2-8,10H,9H2,1H3,(H,26,32)(H,27,28)(H,33,34).
What are the key properties of 4-fluoro-6-[(4-methyl-5-oxo-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
4-fluoro-6-[(4-methyl-5-oxo-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 473.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[(4-methyl-5-oxo-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 59283565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).