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

C25H17FN6O2 — CID 137033290

IUPAC3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol
SMILESCOc1cncc(-c2cc3c(-c4cc5c(-c6cc(O)cc(F)c6)cncc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C25H17FN6O2/c1-34-17-4-14(8-27-9-17)21-7-19-24(12-29-21)31-32-25(19)22-6-18-20(10-28-11-23(18)30-22)13-2-15(26)5-16(33)3-13/h2-12,30,33H,1H3,(H,31,32)
InChIKeyMQEBDOAQLJCTCE-UHFFFAOYSA-N
MW452.45 g/mol
LogP5.08
Rot. Bonds4

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

3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol (PubChem CID 137033290) 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)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol
PubChem CID137033290
Molecular FormulaC25H17FN6O2
Molecular Weight452.45 g/mol
Exact Mass452.14
IUPAC Name3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol
SMILESCOc1cncc(-c2cc3c(-c4cc5c(-c6cc(O)cc(F)c6)cncc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C25H17FN6O2/c1-34-17-4-14(8-27-9-17)21-7-19-24(12-29-21)31-32-25(19)22-6-18-20(10-28-11-23(18)30-22)13-2-15(26)5-16(33)3-13/h2-12,30,33H,1H3,(H,31,32)
InChIKeyMQEBDOAQLJCTCE-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)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol with MolForge

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Related Compounds

CID 11327794
CID 11327794
CID 16040274
CID 16040274
CID 23647380
CID 23647380
CID 23647437
CID 23647437
CID 71253513
CID 71253513
CID 16731838
CID 16731838
CID 16731841
CID 16731841
CID 23647436
CID 23647436
CID 23647440
CID 23647440
CID 23647442
CID 23647442
CID 23647443
CID 23647443
CID 122196351
CID 122196351

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol?
The IUPAC name of 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol (CID 137033290) is 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol?
The canonical SMILES for 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol is COc1cncc(-c2cc3c(-c4cc5c(-c6cc(O)cc(F)c6)cncc5[nH]4)n[nH]c3cn2)c1.
What is the InChIKey of 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol?
The InChIKey is MQEBDOAQLJCTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN6O2/c1-34-17-4-14(8-27-9-17)21-7-19-24(12-29-21)31-32-25(19)22-6-18-20(10-28-11-23(18)30-22)13-2-15(26)5-16(33)3-13/h2-12,30,33H,1H3,(H,31,32).
What are the key properties of 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol?
3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-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)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol is sourced from PubChem (CID 137033290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).