5-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one

C29H21FN6O2S — CID 122187849

IUPAC5-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one
SMILESCn1cnc(-c2cc3nccc(Oc4ccc(N5CCc6c(cnn6-c6ccccc6)C5=O)cc4F)c3s2)c1
InChIInChI=1S/C29H21FN6O2S/c1-34-16-23(32-17-34)27-14-22-28(39-27)26(9-11-31-22)38-25-8-7-19(13-21(25)30)35-12-10-24-20(29(35)37)15-33-36(24)18-5-3-2-4-6-18/h2-9,11,13-17H,10,12H2,1H3
InChIKeyZRZMXDFMUVZMFF-UHFFFAOYSA-N
MW536.59 g/mol
LogP6.02
Rot. Bonds5

About 5-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one

5-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one (PubChem CID 122187849) has the molecular formula C29H21FN6O2S and a molecular weight of 536.59 g/mol. Its IUPAC name is 5-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one
PubChem CID122187849
Molecular FormulaC29H21FN6O2S
Molecular Weight536.59 g/mol
Exact Mass536.14
IUPAC Name5-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one
SMILESCn1cnc(-c2cc3nccc(Oc4ccc(N5CCc6c(cnn6-c6ccccc6)C5=O)cc4F)c3s2)c1
InChIInChI=1S/C29H21FN6O2S/c1-34-16-23(32-17-34)27-14-22-28(39-27)26(9-11-31-22)38-25-8-7-19(13-21(25)30)35-12-10-24-20(29(35)37)15-33-36(24)18-5-3-2-4-6-18/h2-9,11,13-17H,10,12H2,1H3
InChIKeyZRZMXDFMUVZMFF-UHFFFAOYSA-N
XLogP6.02
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.59
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one (CID 122187849) is 5-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one is Cn1cnc(-c2cc3nccc(Oc4ccc(N5CCc6c(cnn6-c6ccccc6)C5=O)cc4F)c3s2)c1.
What is the InChIKey of 5-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one?
The InChIKey is ZRZMXDFMUVZMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21FN6O2S/c1-34-16-23(32-17-34)27-14-22-28(39-27)26(9-11-31-22)38-25-8-7-19(13-21(25)30)35-12-10-24-20(29(35)37)15-33-36(24)18-5-3-2-4-6-18/h2-9,11,13-17H,10,12H2,1H3.
What are the key properties of 5-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one?
5-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one has a molecular weight of 536.59 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 122187849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).