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

C30H21N7O — CID 137280524

IUPAC5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESc1ccc(COc2cncc(-c3cc4c(-c5cc6c(-c7ccncc7)nccc6[nH]5)n[nH]c4cn3)c2)cc1
InChIInChI=1S/C30H21N7O/c1-2-4-19(5-3-1)18-38-22-12-21(15-32-16-22)26-13-24-28(17-34-26)36-37-30(24)27-14-23-25(35-27)8-11-33-29(23)20-6-9-31-10-7-20/h1-17,35H,18H2,(H,36,37)
InChIKeyBXSYJOSRGVYXKG-UHFFFAOYSA-N
MW495.55 g/mol
LogP6.20
Rot. Bonds6

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

5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137280524) has the molecular formula C30H21N7O and a molecular weight of 495.55 g/mol. Its IUPAC name is 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID137280524
Molecular FormulaC30H21N7O
Molecular Weight495.55 g/mol
Exact Mass495.18
IUPAC Name5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESc1ccc(COc2cncc(-c3cc4c(-c5cc6c(-c7ccncc7)nccc6[nH]5)n[nH]c4cn3)c2)cc1
InChIInChI=1S/C30H21N7O/c1-2-4-19(5-3-1)18-38-22-12-21(15-32-16-22)26-13-24-28(17-34-26)36-37-30(24)27-14-23-25(35-27)8-11-33-29(23)20-6-9-31-10-7-20/h1-17,35H,18H2,(H,36,37)
InChIKeyBXSYJOSRGVYXKG-UHFFFAOYSA-N
XLogP6.20
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.55
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-(1H-indol-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137103293
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137280458
3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol
CID 137113808
5-pyridin-3-yl-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137110966
1-phenyl-N-[[3-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]methanamine
CID 137034107
3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 138603433
2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine
CID 137114123
3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 138603098
1-phenyl-N-[[5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 137034158
3-[7-methyl-4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 145246659
1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]ethanone
CID 138603678
N-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137280493

Frequently Asked Questions

What is the IUPAC name of 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine (CID 137280524) is 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine is c1ccc(COc2cncc(-c3cc4c(-c5cc6c(-c7ccncc7)nccc6[nH]5)n[nH]c4cn3)c2)cc1.
What is the InChIKey of 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is BXSYJOSRGVYXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N7O/c1-2-4-19(5-3-1)18-38-22-12-21(15-32-16-22)26-13-24-28(17-34-26)36-37-30(24)27-14-23-25(35-27)8-11-33-29(23)20-6-9-31-10-7-20/h1-17,35H,18H2,(H,36,37).
What are the key properties of 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?
5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 495.55 g/mol, XLogP of 6.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137280524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).