3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(3-methoxy-5-methylphenyl)-1H-pyrazolo[3,4-c]pyridine

C28H22FN5O2 — CID 137033286

IUPAC3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(3-methoxy-5-methylphenyl)-1H-pyrazolo[3,4-c]pyridine
SMILESCOc1cc(C)cc(-c2cc3c(-c4cc5c(-c6cc(F)cc(OC)c6)cncc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C28H22FN5O2/c1-15-4-17(8-19(5-15)35-2)24-11-22-27(14-31-24)33-34-28(22)25-10-21-23(12-30-13-26(21)32-25)16-6-18(29)9-20(7-16)36-3/h4-14,32H,1-3H3,(H,33,34)
InChIKeyYDTMYGPRIYZJBC-UHFFFAOYSA-N
MW479.52 g/mol
LogP6.30
Rot. Bonds5

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

3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(3-methoxy-5-methylphenyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137033286) has the molecular formula C28H22FN5O2 and a molecular weight of 479.52 g/mol. Its IUPAC name is 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(3-methoxy-5-methylphenyl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(3-methoxy-5-methylphenyl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID137033286
Molecular FormulaC28H22FN5O2
Molecular Weight479.52 g/mol
Exact Mass479.18
IUPAC Name3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(3-methoxy-5-methylphenyl)-1H-pyrazolo[3,4-c]pyridine
SMILESCOc1cc(C)cc(-c2cc3c(-c4cc5c(-c6cc(F)cc(OC)c6)cncc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C28H22FN5O2/c1-15-4-17(8-19(5-15)35-2)24-11-22-27(14-31-24)33-34-28(22)25-10-21-23(12-30-13-26(21)32-25)16-6-18(29)9-20(7-16)36-3/h4-14,32H,1-3H3,(H,33,34)
InChIKeyYDTMYGPRIYZJBC-UHFFFAOYSA-N
XLogP6.30
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.52
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(3-methoxy-5-methylphenyl)-1H-pyrazolo[3,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(3-methoxy-5-methylphenyl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(3-methoxy-5-methylphenyl)-1H-pyrazolo[3,4-c]pyridine (CID 137033286) is 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(3-methoxy-5-methylphenyl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(3-methoxy-5-methylphenyl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(3-methoxy-5-methylphenyl)-1H-pyrazolo[3,4-c]pyridine is COc1cc(C)cc(-c2cc3c(-c4cc5c(-c6cc(F)cc(OC)c6)cncc5[nH]4)n[nH]c3cn2)c1.
What is the InChIKey of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(3-methoxy-5-methylphenyl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is YDTMYGPRIYZJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN5O2/c1-15-4-17(8-19(5-15)35-2)24-11-22-27(14-31-24)33-34-28(22)25-10-21-23(12-30-13-26(21)32-25)16-6-18(29)9-20(7-16)36-3/h4-14,32H,1-3H3,(H,33,34).
What are the key properties of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(3-methoxy-5-methylphenyl)-1H-pyrazolo[3,4-c]pyridine?
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(3-methoxy-5-methylphenyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 479.52 g/mol, XLogP of 6.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(3-methoxy-5-methylphenyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137033286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).