N-[5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide

C60H44N10OS2 — CID 145248187

IUPACN-[5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cncc(-c2cc(-c3cc(-c4cccc5[nH]c(-c6n[nH]c7ccc(-c8cncc(CN9CCCC9)c8)cc67)cc45)cs3)c3[nH]nc(-c4cc5c(-c6ccsc6)cccc5[nH]4)c3c2)c1)c1ccccc1
InChIInChI=1S/C60H44N10OS2/c71-60(36-8-2-1-3-9-36)63-43-21-41(30-62-31-43)39-23-49(57-50(24-39)59(69-67-57)55-26-46-44(38-16-19-72-33-38)10-6-12-51(46)65-55)56-25-42(34-73-56)45-11-7-13-52-47(45)27-54(64-52)58-48-22-37(14-15-53(48)66-68-58)40-20-35(28-61-29-40)32-70-17-4-5-18-70/h1-3,6-16,19-31,33-34,64-65H,4-5,17-18,32H2,(H,63,71)(H,66,68)(H,67,69)
InChIKeyDPOJMFBWOGVOQD-UHFFFAOYSA-N
MW985.22 g/mol
LogP14.83
Rot. Bonds11

About N-[5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide

N-[5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide (PubChem CID 145248187) has the molecular formula C60H44N10OS2 and a molecular weight of 985.22 g/mol. Its IUPAC name is N-[5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
PubChem CID145248187
Molecular FormulaC60H44N10OS2
Molecular Weight985.22 g/mol
Exact Mass984.31
IUPAC NameN-[5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cncc(-c2cc(-c3cc(-c4cccc5[nH]c(-c6n[nH]c7ccc(-c8cncc(CN9CCCC9)c8)cc67)cc45)cs3)c3[nH]nc(-c4cc5c(-c6ccsc6)cccc5[nH]4)c3c2)c1)c1ccccc1
InChIInChI=1S/C60H44N10OS2/c71-60(36-8-2-1-3-9-36)63-43-21-41(30-62-31-43)39-23-49(57-50(24-39)59(69-67-57)55-26-46-44(38-16-19-72-33-38)10-6-12-51(46)65-55)56-25-42(34-73-56)45-11-7-13-52-47(45)27-54(64-52)58-48-22-37(14-15-53(48)66-68-58)40-20-35(28-61-29-40)32-70-17-4-5-18-70/h1-3,6-16,19-31,33-34,64-65H,4-5,17-18,32H2,(H,63,71)(H,66,68)(H,67,69)
InChIKeyDPOJMFBWOGVOQD-UHFFFAOYSA-N
XLogP14.83
TPSA147.06 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500985.22
LogP ≤ 514.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze N-[5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide with MolForge

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Related Compounds

N-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591441
N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137037996
N-[5-[7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137059186
N-[3-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]cyclohexa-1,3-dien-5-yn-1-yl]benzamide
CID 137087644
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
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
N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137113084
1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone
CID 137113557
N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137113746
N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137113754
N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137113784
2-cyclohexyl-N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137113850

Frequently Asked Questions

What is the IUPAC name of N-[5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide (CID 145248187) is N-[5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide is O=C(Nc1cncc(-c2cc(-c3cc(-c4cccc5[nH]c(-c6n[nH]c7ccc(-c8cncc(CN9CCCC9)c8)cc67)cc45)cs3)c3[nH]nc(-c4cc5c(-c6ccsc6)cccc5[nH]4)c3c2)c1)c1ccccc1.
What is the InChIKey of N-[5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The InChIKey is DPOJMFBWOGVOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N10OS2/c71-60(36-8-2-1-3-9-36)63-43-21-41(30-62-31-43)39-23-49(57-50(24-39)59(69-67-57)55-26-46-44(38-16-19-72-33-38)10-6-12-51(46)65-55)56-25-42(34-73-56)45-11-7-13-52-47(45)27-54(64-52)58-48-22-37(14-15-53(48)66-68-58)40-20-35(28-61-29-40)32-70-17-4-5-18-70/h1-3,6-16,19-31,33-34,64-65H,4-5,17-18,32H2,(H,63,71)(H,66,68)(H,67,69).
What are the key properties of N-[5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide?
N-[5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide has a molecular weight of 985.22 g/mol, XLogP of 14.83, 11 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 145248187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).