3-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine

C47H28F2N12 — CID 137103285

IUPAC3-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
SMILESFc1cccc(-c2cccc3[nH]c(-c4n[nH]c5c(-c6cc(-c7cccc8[nH]c(-c9n[nH]c%10cnc(-c%11cn[nH]c%11)cc9%10)cc78)ccc6F)nc(-c6cnccn6)cc45)cc23)c1
InChIInChI=1S/C47H28F2N12/c48-27-5-1-4-24(14-27)28-6-2-8-36-30(28)17-41(56-36)45-34-19-39(43-22-50-12-13-51-43)57-46(47(34)61-60-45)32-15-25(10-11-35(32)49)29-7-3-9-37-31(29)16-40(55-37)44-33-18-38(26-20-53-54-21-26)52-23-42(33)58-59-44/h1-23,55-56H,(H,53,54)(H,58,59)(H,60,61)
InChIKeyDRYAYNUNHQGIBM-UHFFFAOYSA-N
MW798.82 g/mol
LogP10.65
Rot. Bonds7

About 3-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine

3-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137103285) has the molecular formula C47H28F2N12 and a molecular weight of 798.82 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
PubChem CID137103285
Molecular FormulaC47H28F2N12
Molecular Weight798.82 g/mol
Exact Mass798.25
IUPAC Name3-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
SMILESFc1cccc(-c2cccc3[nH]c(-c4n[nH]c5c(-c6cc(-c7cccc8[nH]c(-c9n[nH]c%10cnc(-c%11cn[nH]c%11)cc9%10)cc78)ccc6F)nc(-c6cnccn6)cc45)cc23)c1
InChIInChI=1S/C47H28F2N12/c48-27-5-1-4-24(14-27)28-6-2-8-36-30(28)17-41(56-36)45-34-19-39(43-22-50-12-13-51-43)57-46(47(34)61-60-45)32-15-25(10-11-35(32)49)29-7-3-9-37-31(29)16-40(55-37)44-33-18-38(26-20-53-54-21-26)52-23-42(33)58-59-44/h1-23,55-56H,(H,53,54)(H,58,59)(H,60,61)
InChIKeyDRYAYNUNHQGIBM-UHFFFAOYSA-N
XLogP10.65
TPSA169.18 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.82
LogP ≤ 510.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 3-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine (CID 137103285) is 3-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine is Fc1cccc(-c2cccc3[nH]c(-c4n[nH]c5c(-c6cc(-c7cccc8[nH]c(-c9n[nH]c%10cnc(-c%11cn[nH]c%11)cc9%10)cc78)ccc6F)nc(-c6cnccn6)cc45)cc23)c1.
What is the InChIKey of 3-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is DRYAYNUNHQGIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28F2N12/c48-27-5-1-4-24(14-27)28-6-2-8-36-30(28)17-41(56-36)45-34-19-39(43-22-50-12-13-51-43)57-46(47(34)61-60-45)32-15-25(10-11-35(32)49)29-7-3-9-37-31(29)16-40(55-37)44-33-18-38(26-20-53-54-21-26)52-23-42(33)58-59-44/h1-23,55-56H,(H,53,54)(H,58,59)(H,60,61).
What are the key properties of 3-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine?
3-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 798.82 g/mol, XLogP of 10.65, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137103285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).