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

C62H44F2N12O — CID 137087958

IUPACN-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cncc(-c2cc(-c3cc(-c4cccc5[nH]c(-c6n[nH]c7ccc(-c8cncc(CN9CCCC9)c8)nc67)cc45)ccc3F)c3[nH]nc(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)c3n2)c1)c1ccccc1
InChIInChI=1S/C62H44F2N12O/c63-41-17-14-36(15-18-41)43-10-6-12-51-46(43)27-56(69-51)60-61-57(73-75-60)48(29-54(71-61)40-25-42(33-66-32-40)67-62(77)37-8-2-1-3-9-37)45-26-38(16-19-49(45)64)44-11-7-13-52-47(44)28-55(68-52)59-58-53(72-74-59)21-20-50(70-58)39-24-35(30-65-31-39)34-76-22-4-5-23-76/h1-3,6-21,24-33,68-69H,4-5,22-23,34H2,(H,67,77)(H,72,74)(H,73,75)
InChIKeyPEONTUOMOTYEAV-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[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[4,3-b]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[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide (PubChem CID 137087958) 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[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[4,3-b]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[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
PubChem CID137087958
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[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cncc(-c2cc(-c3cc(-c4cccc5[nH]c(-c6n[nH]c7ccc(-c8cncc(CN9CCCC9)c8)nc67)cc45)ccc3F)c3[nH]nc(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)c3n2)c1)c1ccccc1
InChIInChI=1S/C62H44F2N12O/c63-41-17-14-36(15-18-41)43-10-6-12-51-46(43)27-56(69-51)60-61-57(73-75-60)48(29-54(71-61)40-25-42(33-66-32-40)67-62(77)37-8-2-1-3-9-37)45-26-38(16-19-49(45)64)44-11-7-13-52-47(44)28-55(68-52)59-58-53(72-74-59)21-20-50(70-58)39-24-35(30-65-31-39)34-76-22-4-5-23-76/h1-3,6-21,24-33,68-69H,4-5,22-23,34H2,(H,67,77)(H,72,74)(H,73,75)
InChIKeyPEONTUOMOTYEAV-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[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide with MolForge

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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[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[4,3-b]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[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide (CID 137087958) 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[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[4,3-b]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[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[4,3-b]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[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide is O=C(Nc1cncc(-c2cc(-c3cc(-c4cccc5[nH]c(-c6n[nH]c7ccc(-c8cncc(CN9CCCC9)c8)nc67)cc45)ccc3F)c3[nH]nc(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)c3n2)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[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide?
The InChIKey is PEONTUOMOTYEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44F2N12O/c63-41-17-14-36(15-18-41)43-10-6-12-51-46(43)27-56(69-51)60-61-57(73-75-60)48(29-54(71-61)40-25-42(33-66-32-40)67-62(77)37-8-2-1-3-9-37)45-26-38(16-19-49(45)64)44-11-7-13-52-47(44)28-55(68-52)59-58-53(72-74-59)21-20-50(70-58)39-24-35(30-65-31-39)34-76-22-4-5-23-76/h1-3,6-21,24-33,68-69H,4-5,22-23,34H2,(H,67,77)(H,72,74)(H,73,75).
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[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[4,3-b]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[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[4,3-b]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[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 137087958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).