3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol

C25H17FN6O2 — CID 137145271

IUPAC3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
SMILESCOc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C25H17FN6O2/c1-34-18-6-14(10-27-12-18)15-7-20-24(31-32-25(20)29-11-15)22-9-19-21(30-22)2-3-28-23(19)13-4-16(26)8-17(33)5-13/h2-12,30,33H,1H3,(H,29,31,32)
InChIKeyQCDQNMAFEUMGRZ-UHFFFAOYSA-N
MW452.45 g/mol
LogP5.08
Rot. Bonds4

About 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol

3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol (PubChem CID 137145271) has the molecular formula C25H17FN6O2 and a molecular weight of 452.45 g/mol. Its IUPAC name is 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
PubChem CID137145271
Molecular FormulaC25H17FN6O2
Molecular Weight452.45 g/mol
Exact Mass452.14
IUPAC Name3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
SMILESCOc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C25H17FN6O2/c1-34-18-6-14(10-27-12-18)15-7-20-24(31-32-25(20)29-11-15)22-9-19-21(30-22)2-3-28-23(19)13-4-16(26)8-17(33)5-13/h2-12,30,33H,1H3,(H,29,31,32)
InChIKeyQCDQNMAFEUMGRZ-UHFFFAOYSA-N
XLogP5.08
TPSA112.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.45
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
The IUPAC name of 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol (CID 137145271) is 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
The canonical SMILES for 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol is COc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
The InChIKey is QCDQNMAFEUMGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN6O2/c1-34-18-6-14(10-27-12-18)15-7-20-24(31-32-25(20)29-11-15)22-9-19-21(30-22)2-3-28-23(19)13-4-16(26)8-17(33)5-13/h2-12,30,33H,1H3,(H,29,31,32).
What are the key properties of 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol has a molecular weight of 452.45 g/mol, XLogP of 5.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol is sourced from PubChem (CID 137145271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).