3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol

C25H17FN6O — CID 136937124

IUPAC3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol
SMILESCc1ccncc1-c1ccc2[nH]nc(-c3nc4c(-c5cc(O)cc(F)c5)nccc4[nH]3)c2c1
InChIInChI=1S/C25H17FN6O/c1-13-4-6-27-12-19(13)14-2-3-20-18(10-14)23(32-31-20)25-29-21-5-7-28-22(24(21)30-25)15-8-16(26)11-17(33)9-15/h2-12,33H,1H3,(H,29,30)(H,31,32)
InChIKeyFAFZGYMLTLAOEM-UHFFFAOYSA-N
MW436.45 g/mol
LogP5.38
Rot. Bonds3

About 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol

3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol (PubChem CID 136937124) has the molecular formula C25H17FN6O and a molecular weight of 436.45 g/mol. Its IUPAC name is 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol
PubChem CID136937124
Molecular FormulaC25H17FN6O
Molecular Weight436.45 g/mol
Exact Mass436.14
IUPAC Name3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol
SMILESCc1ccncc1-c1ccc2[nH]nc(-c3nc4c(-c5cc(O)cc(F)c5)nccc4[nH]3)c2c1
InChIInChI=1S/C25H17FN6O/c1-13-4-6-27-12-19(13)14-2-3-20-18(10-14)23(32-31-20)25-29-21-5-7-28-22(24(21)30-25)15-8-16(26)11-17(33)9-15/h2-12,33H,1H3,(H,29,30)(H,31,32)
InChIKeyFAFZGYMLTLAOEM-UHFFFAOYSA-N
XLogP5.38
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.45
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol?
The IUPAC name of 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol (CID 136937124) is 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol?
The canonical SMILES for 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol is Cc1ccncc1-c1ccc2[nH]nc(-c3nc4c(-c5cc(O)cc(F)c5)nccc4[nH]3)c2c1.
What is the InChIKey of 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol?
The InChIKey is FAFZGYMLTLAOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN6O/c1-13-4-6-27-12-19(13)14-2-3-20-18(10-14)23(32-31-20)25-29-21-5-7-28-22(24(21)30-25)15-8-16(26)11-17(33)9-15/h2-12,33H,1H3,(H,29,30)(H,31,32).
What are the key properties of 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol?
3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol has a molecular weight of 436.45 g/mol, XLogP of 5.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol is sourced from PubChem (CID 136937124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).