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

C48H34F2N12 — CID 145254989

IUPAC7-[5-[2-[5-(4,5-dihydro-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]-2-fluorophenyl]-3-[4-(3-fluorophenyl)-4-methyl-1,5-dihydroindol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
SMILESCC1(c2cccc(F)c2)CC=Cc2[nH]c(-c3n[nH]c4c(-c5cc(-c6cccc7[nH]c(-c8n[nH]c9cnc(C%10C=NNC%10)cc89)cc67)ccc5F)nc(-c5cnccn5)cc34)cc21
InChIInChI=1S/C48H34F2N12/c1-48(27-5-2-6-28(49)16-27)12-4-9-37-34(48)20-41(57-37)45-33-19-39(43-23-51-13-14-52-43)58-46(47(33)62-61-45)31-15-25(10-11-35(31)50)29-7-3-8-36-30(29)17-40(56-36)44-32-18-38(26-21-54-55-22-26)53-24-42(32)59-60-44/h2-11,13-21,23-24,26,55-57H,12,22H2,1H3,(H,59,60)(H,61,62)
InChIKeyZMPZJGUQMGWUEQ-UHFFFAOYSA-N
MW816.88 g/mol
LogP9.84
Rot. Bonds7

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

7-[5-[2-[5-(4,5-dihydro-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]-2-fluorophenyl]-3-[4-(3-fluorophenyl)-4-methyl-1,5-dihydroindol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine (PubChem CID 145254989) has the molecular formula C48H34F2N12 and a molecular weight of 816.88 g/mol. Its IUPAC name is 7-[5-[2-[5-(4,5-dihydro-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]-2-fluorophenyl]-3-[4-(3-fluorophenyl)-4-methyl-1,5-dihydroindol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name7-[5-[2-[5-(4,5-dihydro-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]-2-fluorophenyl]-3-[4-(3-fluorophenyl)-4-methyl-1,5-dihydroindol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
PubChem CID145254989
Molecular FormulaC48H34F2N12
Molecular Weight816.88 g/mol
Exact Mass816.30
IUPAC Name7-[5-[2-[5-(4,5-dihydro-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]-2-fluorophenyl]-3-[4-(3-fluorophenyl)-4-methyl-1,5-dihydroindol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
SMILESCC1(c2cccc(F)c2)CC=Cc2[nH]c(-c3n[nH]c4c(-c5cc(-c6cccc7[nH]c(-c8n[nH]c9cnc(C%10C=NNC%10)cc89)cc67)ccc5F)nc(-c5cnccn5)cc34)cc21
InChIInChI=1S/C48H34F2N12/c1-48(27-5-2-6-28(49)16-27)12-4-9-37-34(48)20-41(57-37)45-33-19-39(43-23-51-13-14-52-43)58-46(47(33)62-61-45)31-15-25(10-11-35(31)50)29-7-3-8-36-30(29)17-40(56-36)44-32-18-38(26-21-54-55-22-26)53-24-42(32)59-60-44/h2-11,13-21,23-24,26,55-57H,12,22H2,1H3,(H,59,60)(H,61,62)
InChIKeyZMPZJGUQMGWUEQ-UHFFFAOYSA-N
XLogP9.84
TPSA164.89 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.88
LogP ≤ 59.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 7-[5-[2-[5-(4,5-dihydro-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]-2-fluorophenyl]-3-[4-(3-fluorophenyl)-4-methyl-1,5-dihydroindol-2-yl]-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 7-[5-[2-[5-(4,5-dihydro-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]-2-fluorophenyl]-3-[4-(3-fluorophenyl)-4-methyl-1,5-dihydroindol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 7-[5-[2-[5-(4,5-dihydro-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]-2-fluorophenyl]-3-[4-(3-fluorophenyl)-4-methyl-1,5-dihydroindol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine (CID 145254989) is 7-[5-[2-[5-(4,5-dihydro-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]-2-fluorophenyl]-3-[4-(3-fluorophenyl)-4-methyl-1,5-dihydroindol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 7-[5-[2-[5-(4,5-dihydro-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]-2-fluorophenyl]-3-[4-(3-fluorophenyl)-4-methyl-1,5-dihydroindol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 7-[5-[2-[5-(4,5-dihydro-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]-2-fluorophenyl]-3-[4-(3-fluorophenyl)-4-methyl-1,5-dihydroindol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine is CC1(c2cccc(F)c2)CC=Cc2[nH]c(-c3n[nH]c4c(-c5cc(-c6cccc7[nH]c(-c8n[nH]c9cnc(C%10C=NNC%10)cc89)cc67)ccc5F)nc(-c5cnccn5)cc34)cc21.
What is the InChIKey of 7-[5-[2-[5-(4,5-dihydro-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]-2-fluorophenyl]-3-[4-(3-fluorophenyl)-4-methyl-1,5-dihydroindol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is ZMPZJGUQMGWUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34F2N12/c1-48(27-5-2-6-28(49)16-27)12-4-9-37-34(48)20-41(57-37)45-33-19-39(43-23-51-13-14-52-43)58-46(47(33)62-61-45)31-15-25(10-11-35(31)50)29-7-3-8-36-30(29)17-40(56-36)44-32-18-38(26-21-54-55-22-26)53-24-42(32)59-60-44/h2-11,13-21,23-24,26,55-57H,12,22H2,1H3,(H,59,60)(H,61,62).
What are the key properties of 7-[5-[2-[5-(4,5-dihydro-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]-2-fluorophenyl]-3-[4-(3-fluorophenyl)-4-methyl-1,5-dihydroindol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine?
7-[5-[2-[5-(4,5-dihydro-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]-2-fluorophenyl]-3-[4-(3-fluorophenyl)-4-methyl-1,5-dihydroindol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 816.88 g/mol, XLogP of 9.84, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[2-[5-(4,5-dihydro-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]-2-fluorophenyl]-3-[4-(3-fluorophenyl)-4-methyl-1,5-dihydroindol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 145254989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).