3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine

C31H21FN6O — CID 137040247

IUPAC3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
SMILESFc1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OCc7ccccc7)c6)cc45)cc23)cc1
InChIInChI=1S/C31H21FN6O/c32-23-8-6-20(7-9-23)27-16-34-17-29-25(27)12-28(36-29)30-26-11-22(14-35-31(26)38-37-30)21-10-24(15-33-13-21)39-18-19-4-2-1-3-5-19/h1-17,36H,18H2,(H,35,37,38)
InChIKeyWSXUTSSDIPWMAL-UHFFFAOYSA-N
MW512.55 g/mol
LogP6.95
Rot. Bonds6

About 3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine

3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137040247) has the molecular formula C31H21FN6O and a molecular weight of 512.55 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID137040247
Molecular FormulaC31H21FN6O
Molecular Weight512.55 g/mol
Exact Mass512.18
IUPAC Name3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
SMILESFc1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OCc7ccccc7)c6)cc45)cc23)cc1
InChIInChI=1S/C31H21FN6O/c32-23-8-6-20(7-9-23)27-16-34-17-29-25(27)12-28(36-29)30-26-11-22(14-35-31(26)38-37-30)21-10-24(15-33-13-21)39-18-19-4-2-1-3-5-19/h1-17,36H,18H2,(H,35,37,38)
InChIKeyWSXUTSSDIPWMAL-UHFFFAOYSA-N
XLogP6.95
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.55
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137280863
5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137280752
1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137040563
3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137281481
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 138604339
3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137311162
5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
CID 137040673
N-[[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
CID 137145078
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 137040539
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridine
CID 137040687
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137056908
3-fluoro-5-[2-[5-[5-[[hydroxy(phenyl)methyl]amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol
CID 137281315

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (CID 137040247) is 3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is Fc1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OCc7ccccc7)c6)cc45)cc23)cc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is WSXUTSSDIPWMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21FN6O/c32-23-8-6-20(7-9-23)27-16-34-17-29-25(27)12-28(36-29)30-26-11-22(14-35-31(26)38-37-30)21-10-24(15-33-13-21)39-18-19-4-2-1-3-5-19/h1-17,36H,18H2,(H,35,37,38).
What are the key properties of 3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 512.55 g/mol, XLogP of 6.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137040247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).