N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide

C62H44F2N12O — CID 137102862

IUPACN-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)n[nH]c3c(-c3cc(-c4cccc5[nH]c(-c6n[nH]c7cnc(-c8cncc(CN9CCCC9)c8)cc67)cc45)ccc3F)n2)c1)c1ccccc1
InChIInChI=1S/C62H44F2N12O/c63-41-17-14-36(15-18-41)43-10-6-12-51-45(43)25-56(70-51)59-49-28-54(40-23-42(32-66-31-40)68-62(77)37-8-2-1-3-9-37)71-60(61(49)75-74-59)47-24-38(16-19-50(47)64)44-11-7-13-52-46(44)26-55(69-52)58-48-27-53(67-33-57(48)72-73-58)39-22-35(29-65-30-39)34-76-20-4-5-21-76/h1-3,6-19,22-33,69-70H,4-5,20-21,34H2,(H,68,77)(H,72,73)(H,74,75)
InChIKeyICTBWEICBORAMS-UHFFFAOYSA-N
MW1011.11 g/mol
LogP13.78
Rot. Bonds11

About N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide

N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide (PubChem CID 137102862) has the molecular formula C62H44F2N12O and a molecular weight of 1011.11 g/mol. Its IUPAC name is N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
PubChem CID137102862
Molecular FormulaC62H44F2N12O
Molecular Weight1011.11 g/mol
Exact Mass1010.37
IUPAC NameN-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)n[nH]c3c(-c3cc(-c4cccc5[nH]c(-c6n[nH]c7cnc(-c8cncc(CN9CCCC9)c8)cc67)cc45)ccc3F)n2)c1)c1ccccc1
InChIInChI=1S/C62H44F2N12O/c63-41-17-14-36(15-18-41)43-10-6-12-51-45(43)25-56(70-51)59-49-28-54(40-23-42(32-66-31-40)68-62(77)37-8-2-1-3-9-37)71-60(61(49)75-74-59)47-24-38(16-19-50(47)64)44-11-7-13-52-46(44)26-55(69-52)58-48-27-53(67-33-57(48)72-73-58)39-22-35(29-65-30-39)34-76-20-4-5-21-76/h1-3,6-19,22-33,69-70H,4-5,20-21,34H2,(H,68,77)(H,72,73)(H,74,75)
InChIKeyICTBWEICBORAMS-UHFFFAOYSA-N
XLogP13.78
TPSA172.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.11
LogP ≤ 513.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide with MolForge

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Related Compounds

N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 137113826
2-piperidin-4-yl-N-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137114450
N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137116918
N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137313055
US20250136592, Example 74
CID 176732929
6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide
CID 44539941
N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89442411
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-N-[6-(piperidin-1-ylmethyl)pyridin-3-yl]-1H-indazole-3-carboxamide
CID 89450368
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-3-yl]-N-[6-(piperidin-1-ylmethyl)pyridin-3-yl]-1H-indazole-3-carboxamide
CID 89450383
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-3-yl]-N-[6-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-1H-indazole-3-carboxamide
CID 89450493
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-N-[6-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-1H-indazole-3-carboxamide
CID 89450494
N-[6-(3-fluorophenyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450515

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide (CID 137102862) is N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide is O=C(Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)n[nH]c3c(-c3cc(-c4cccc5[nH]c(-c6n[nH]c7cnc(-c8cncc(CN9CCCC9)c8)cc67)cc45)ccc3F)n2)c1)c1ccccc1.
What is the InChIKey of N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide?
The InChIKey is ICTBWEICBORAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44F2N12O/c63-41-17-14-36(15-18-41)43-10-6-12-51-45(43)25-56(70-51)59-49-28-54(40-23-42(32-66-31-40)68-62(77)37-8-2-1-3-9-37)71-60(61(49)75-74-59)47-24-38(16-19-50(47)64)44-11-7-13-52-46(44)26-55(69-52)58-48-27-53(67-33-57(48)72-73-58)39-22-35(29-65-30-39)34-76-20-4-5-21-76/h1-3,6-19,22-33,69-70H,4-5,20-21,34H2,(H,68,77)(H,72,73)(H,74,75).
What are the key properties of N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide?
N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide has a molecular weight of 1011.11 g/mol, XLogP of 13.78, 11 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 137102862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).