N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide

C55H52N18O2 — CID 137028963

IUPACN-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
SMILESCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCN(C)C(c7cc(-c8cncc(NC(=O)C9CCCCC9)c8)cc8c(-c9nc%10c(-n%11cnc(C)c%11)cncc%10[nH]9)[nH]nc78)C6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C55H52N18O2/c1-4-47(74)61-36-14-34(19-56-21-36)32-10-11-41-38(16-32)49(69-67-41)53-63-42-23-58-25-44(51(42)65-53)72-13-12-71(3)46(28-72)39-17-33(35-15-37(22-57-20-35)62-55(75)31-8-6-5-7-9-31)18-40-48(39)68-70-50(40)54-64-43-24-59-26-45(52(43)66-54)73-27-30(2)60-29-73/h10-11,14-27,29,31,46H,4-9,12-13,28H2,1-3H3,(H,61,74)(H,62,75)(H,63,65)(H,64,66)(H,67,69)(H,68,70)
InChIKeyGJUZJOLKRTWVHE-UHFFFAOYSA-N
MW997.14 g/mol
LogP9.29
Rot. Bonds11

About N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide

N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 137028963) has the molecular formula C55H52N18O2 and a molecular weight of 997.14 g/mol. Its IUPAC name is N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
PubChem CID137028963
Molecular FormulaC55H52N18O2
Molecular Weight997.14 g/mol
Exact Mass996.45
IUPAC NameN-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
SMILESCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCN(C)C(c7cc(-c8cncc(NC(=O)C9CCCCC9)c8)cc8c(-c9nc%10c(-n%11cnc(C)c%11)cncc%10[nH]9)[nH]nc78)C6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C55H52N18O2/c1-4-47(74)61-36-14-34(19-56-21-36)32-10-11-41-38(16-32)49(69-67-41)53-63-42-23-58-25-44(51(42)65-53)72-13-12-71(3)46(28-72)39-17-33(35-15-37(22-57-20-35)62-55(75)31-8-6-5-7-9-31)18-40-48(39)68-70-50(40)54-64-43-24-59-26-45(52(43)66-54)73-27-30(2)60-29-73/h10-11,14-27,29,31,46H,4-9,12-13,28H2,1-3H3,(H,61,74)(H,62,75)(H,63,65)(H,64,66)(H,67,69)(H,68,70)
InChIKeyGJUZJOLKRTWVHE-UHFFFAOYSA-N
XLogP9.29
TPSA248.78 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500997.14
LogP ≤ 59.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide with MolForge

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Launch Full Analysis

Related Compounds

Lorecivivint
CID 135565709
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-3-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11238677
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11478841
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11478962
US10300056, Example 1
CID 129072547
1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimethyl-phenyl)-3-{(S)-2-[2-(3H-imidazo[4,5-b]pyridin-6-yl)-ethylamino]-1-methyl-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one
CID 9873212
1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimethyl-phenyl)-3-{(S)-2-[4-(3H-imidazo[4,5-b]pyridin-6-yl)-butylamino]-1-methyl-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one
CID 9938925
1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethyl-phenyl)-3-{(S)-1-methyl-2-[2-(3H-[1,2,3]triazolo[4,5-b]pyridin-6-yl)-ethylamino]-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one
CID 9960399
N-[(2R)-1-[[(2S)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 156013389
N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[[(2S)-1-oxo-3-pyridin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 156014376
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11456078
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

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide (CID 137028963) is N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide is CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCN(C)C(c7cc(-c8cncc(NC(=O)C9CCCCC9)c8)cc8c(-c9nc%10c(-n%11cnc(C)c%11)cncc%10[nH]9)[nH]nc78)C6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is GJUZJOLKRTWVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H52N18O2/c1-4-47(74)61-36-14-34(19-56-21-36)32-10-11-41-38(16-32)49(69-67-41)53-63-42-23-58-25-44(51(42)65-53)72-13-12-71(3)46(28-72)39-17-33(35-15-37(22-57-20-35)62-55(75)31-8-6-5-7-9-31)18-40-48(39)68-70-50(40)54-64-43-24-59-26-45(52(43)66-54)73-27-30(2)60-29-73/h10-11,14-27,29,31,46H,4-9,12-13,28H2,1-3H3,(H,61,74)(H,62,75)(H,63,65)(H,64,66)(H,67,69)(H,68,70).
What are the key properties of N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 997.14 g/mol, XLogP of 9.29, 11 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[1-methyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 137028963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).