3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine

C23H16FN7O — CID 137038435

IUPAC3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
SMILESCOc1cc(F)cc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)nc45)cc23)c1
InChIInChI=1S/C23H16FN7O/c1-32-15-7-12(6-14(24)8-15)16-4-5-25-23-17(16)9-20(29-23)22-21-19(30-31-22)3-2-18(28-21)13-10-26-27-11-13/h2-11H,1H3,(H,25,29)(H,26,27)(H,30,31)
InChIKeyASBMOBFGWURHIW-UHFFFAOYSA-N
MW425.43 g/mol
LogP4.71
Rot. Bonds4

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

3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137038435) has the molecular formula C23H16FN7O and a molecular weight of 425.43 g/mol. Its IUPAC name is 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
PubChem CID137038435
Molecular FormulaC23H16FN7O
Molecular Weight425.43 g/mol
Exact Mass425.14
IUPAC Name3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
SMILESCOc1cc(F)cc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)nc45)cc23)c1
InChIInChI=1S/C23H16FN7O/c1-32-15-7-12(6-14(24)8-15)16-4-5-25-23-17(16)9-20(29-23)22-21-19(30-31-22)3-2-18(28-21)13-10-26-27-11-13/h2-11H,1H3,(H,25,29)(H,26,27)(H,30,31)
InChIKeyASBMOBFGWURHIW-UHFFFAOYSA-N
XLogP4.71
TPSA108.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

CID 74223726
CID 74223726
CID 73387064
CID 73387064
CID 9819053
CID 9819053
CID 73386768
CID 73386768
CID 118010994
CID 118010994
CID 138712432
CID 138712432
CID 46879452
CID 46879452
CID 59199121
CID 59199121
CID 90400782
CID 90400782
CID 118057675
CID 118057675
CID 118057812
CID 118057812
CID 134284285
CID 134284285

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine (CID 137038435) is 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine is COc1cc(F)cc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)nc45)cc23)c1.
What is the InChIKey of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is ASBMOBFGWURHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN7O/c1-32-15-7-12(6-14(24)8-15)16-4-5-25-23-17(16)9-20(29-23)22-21-19(30-31-22)3-2-18(28-21)13-10-26-27-11-13/h2-11H,1H3,(H,25,29)(H,26,27)(H,30,31).
What are the key properties of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine?
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 425.43 g/mol, XLogP of 4.71, 4 rotatable bonds, 3 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-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137038435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).