N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[6-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide

C58H42N16O — CID 137098472

IUPACN-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[6-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cncc(-c2cc(-c3cccc(-c4cncc5[nH]c(-c6n[nH]c7ccc(-c8cncc(CN9CCCC9)c8)cc67)nc45)n3)c3[nH]nc(-c4nc5c(-c6ccccn6)cncc5[nH]4)c3c2)c1)c1ccccc1
InChIInChI=1S/C58H42N16O/c75-58(34-9-2-1-3-10-34)64-39-20-38(26-60-27-39)36-22-40(51-42(23-36)55(73-71-51)57-67-49-30-61-28-43(52(49)68-57)45-11-4-5-16-63-45)46-12-8-13-47(65-46)44-29-62-31-50-53(44)69-56(66-50)54-41-21-35(14-15-48(41)70-72-54)37-19-33(24-59-25-37)32-74-17-6-7-18-74/h1-5,8-16,19-31H,6-7,17-18,32H2,(H,64,75)(H,66,69)(H,67,68)(H,70,72)(H,71,73)
InChIKeyYRNOJMHPWOJBKT-UHFFFAOYSA-N
MW979.09 g/mol
LogP11.08
Rot. Bonds11

About N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[6-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide

N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[6-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide (PubChem CID 137098472) has the molecular formula C58H42N16O and a molecular weight of 979.09 g/mol. Its IUPAC name is N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[6-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[6-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
PubChem CID137098472
Molecular FormulaC58H42N16O
Molecular Weight979.09 g/mol
Exact Mass978.37
IUPAC NameN-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[6-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cncc(-c2cc(-c3cccc(-c4cncc5[nH]c(-c6n[nH]c7ccc(-c8cncc(CN9CCCC9)c8)cc67)nc45)n3)c3[nH]nc(-c4nc5c(-c6ccccn6)cncc5[nH]4)c3c2)c1)c1ccccc1
InChIInChI=1S/C58H42N16O/c75-58(34-9-2-1-3-10-34)64-39-20-38(26-60-27-39)36-22-40(51-42(23-36)55(73-71-51)57-67-49-30-61-28-43(52(49)68-57)45-11-4-5-16-63-45)46-12-8-13-47(65-46)44-29-62-31-50-53(44)69-56(66-50)54-41-21-35(14-15-48(41)70-72-54)37-19-33(24-59-25-37)32-74-17-6-7-18-74/h1-5,8-16,19-31H,6-7,17-18,32H2,(H,64,75)(H,66,69)(H,67,68)(H,70,72)(H,71,73)
InChIKeyYRNOJMHPWOJBKT-UHFFFAOYSA-N
XLogP11.08
TPSA224.40 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500979.09
LogP ≤ 511.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[6-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylindole-5-carboxamide
CID 162654034
N-(2-amino-5-pyrimidinyl)-5-[5-(1-piperidinylmethyl)-3-pyridinyl]-1H-Indazole-3-carboxamide
CID 89444844
5-[5-(1-piperidinylmethyl)-3-pyridinyl]-N-2-pyrazinyl-1H-Indazole-3-carboxamide
CID 89444885
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1H-indazole-3-carboxamide
CID 89450403
N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89451222
3-methyl-N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 136273211
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[6-[(4-pyridin-2-ylphenyl)methylamino]-1H-benzimidazol-2-yl]-1H-indazole-5-carboxamide
CID 136176136
3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N,1-trimethylindole-5-carboxamide
CID 162649121
3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide
CID 57411846
3-imidazo[1,2-a]pyridin-6-yl-N-[3-(pyrazol-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide
CID 67983959
2-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 135985991
N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 135987311

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[6-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[6-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide (CID 137098472) is N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[6-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[6-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[6-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide is O=C(Nc1cncc(-c2cc(-c3cccc(-c4cncc5[nH]c(-c6n[nH]c7ccc(-c8cncc(CN9CCCC9)c8)cc67)nc45)n3)c3[nH]nc(-c4nc5c(-c6ccccn6)cncc5[nH]4)c3c2)c1)c1ccccc1.
What is the InChIKey of N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[6-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The InChIKey is YRNOJMHPWOJBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N16O/c75-58(34-9-2-1-3-10-34)64-39-20-38(26-60-27-39)36-22-40(51-42(23-36)55(73-71-51)57-67-49-30-61-28-43(52(49)68-57)45-11-4-5-16-63-45)46-12-8-13-47(65-46)44-29-62-31-50-53(44)69-56(66-50)54-41-21-35(14-15-48(41)70-72-54)37-19-33(24-59-25-37)32-74-17-6-7-18-74/h1-5,8-16,19-31H,6-7,17-18,32H2,(H,64,75)(H,66,69)(H,67,68)(H,70,72)(H,71,73).
What are the key properties of N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[6-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide?
N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[6-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide has a molecular weight of 979.09 g/mol, XLogP of 11.08, 11 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[6-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 137098472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).