N-[5-[4-[6-[2-(cyclopropanecarbonylamino)-5-[4-[2-[2-(cyclopropanecarbonylamino)-5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazol-2-ium-4-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-pyridinyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C60H46N17O3+ — CID 90890129

IUPACN-[5-[4-[6-[2-(cyclopropanecarbonylamino)-5-[4-[2-[2-(cyclopropanecarbonylamino)-5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazol-2-ium-4-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-pyridinyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7c[nH][n+](-c8ccc(-c9ccc(-c%10cccnc%10)nc9)n9nc(NC(=O)C%10CC%10)nc89)c7)cc6)n6nc(NC(=O)C7CC7)nc56)nc4)cc3)n2n1)C1CC1
InChIInChI=1S/C60H45N17O3/c78-55(38-14-15-38)68-58-65-52-5-1-4-48(75(52)71-58)36-10-6-34(7-11-36)41-20-24-47(63-30-41)45-22-25-49(76-53(45)66-59(72-76)69-56(79)39-16-17-39)37-12-8-35(9-13-37)44-32-64-74(33-44)51-27-26-50(43-21-23-46(62-31-43)42-3-2-28-61-29-42)77-54(51)67-60(73-77)70-57(80)40-18-19-40/h1-13,20-33,38-40H,14-19H2,(H3,68,69,70,71,72,73,78,79,80)/p+1
InChIKeyWWZPGYHLQRTTIU-UHFFFAOYSA-O
MW1053.14 g/mol
LogP9.32
Rot. Bonds14

About N-[5-[4-[6-[2-(cyclopropanecarbonylamino)-5-[4-[2-[2-(cyclopropanecarbonylamino)-5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazol-2-ium-4-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-pyridinyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[6-[2-(cyclopropanecarbonylamino)-5-[4-[2-[2-(cyclopropanecarbonylamino)-5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazol-2-ium-4-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-pyridinyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 90890129) has the molecular formula C60H46N17O3+ and a molecular weight of 1053.14 g/mol. Its IUPAC name is N-[5-[4-[6-[2-(cyclopropanecarbonylamino)-5-[4-[2-[2-(cyclopropanecarbonylamino)-5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazol-2-ium-4-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-pyridinyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[6-[2-(cyclopropanecarbonylamino)-5-[4-[2-[2-(cyclopropanecarbonylamino)-5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazol-2-ium-4-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-pyridinyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID90890129
Molecular FormulaC60H46N17O3+
Molecular Weight1053.14 g/mol
Exact Mass1052.40
IUPAC NameN-[5-[4-[6-[2-(cyclopropanecarbonylamino)-5-[4-[2-[2-(cyclopropanecarbonylamino)-5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazol-2-ium-4-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-pyridinyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7c[nH][n+](-c8ccc(-c9ccc(-c%10cccnc%10)nc9)n9nc(NC(=O)C%10CC%10)nc89)c7)cc6)n6nc(NC(=O)C7CC7)nc56)nc4)cc3)n2n1)C1CC1
InChIInChI=1S/C60H45N17O3/c78-55(38-14-15-38)68-58-65-52-5-1-4-48(75(52)71-58)36-10-6-34(7-11-36)41-20-24-47(63-30-41)45-22-25-49(76-53(45)66-59(72-76)69-56(79)39-16-17-39)37-12-8-35(9-13-37)44-32-64-74(33-44)51-27-26-50(43-21-23-46(62-31-43)42-3-2-28-61-29-42)77-54(51)67-60(73-77)70-57(80)40-18-19-40/h1-13,20-33,38-40H,14-19H2,(H3,68,69,70,71,72,73,78,79,80)/p+1
InChIKeyWWZPGYHLQRTTIU-UHFFFAOYSA-O
XLogP9.32
TPSA236.21 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001053.14
LogP ≤ 59.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[5-[4-[6-[2-(cyclopropanecarbonylamino)-5-[4-[2-[2-(cyclopropanecarbonylamino)-5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazol-2-ium-4-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-pyridinyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

1-(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-yl)urea
CID 44572052
N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 136193359
N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 136193654
N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 136496175
2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137038550
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137039746
N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide
CID 137039921
N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137040117
2-methyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137041485
2-phenyl-N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137041591
N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137041684
N-[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137054905

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[6-[2-(cyclopropanecarbonylamino)-5-[4-[2-[2-(cyclopropanecarbonylamino)-5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazol-2-ium-4-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-pyridinyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[6-[2-(cyclopropanecarbonylamino)-5-[4-[2-[2-(cyclopropanecarbonylamino)-5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazol-2-ium-4-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-pyridinyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 90890129) is N-[5-[4-[6-[2-(cyclopropanecarbonylamino)-5-[4-[2-[2-(cyclopropanecarbonylamino)-5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazol-2-ium-4-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-pyridinyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[6-[2-(cyclopropanecarbonylamino)-5-[4-[2-[2-(cyclopropanecarbonylamino)-5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazol-2-ium-4-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-pyridinyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[6-[2-(cyclopropanecarbonylamino)-5-[4-[2-[2-(cyclopropanecarbonylamino)-5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazol-2-ium-4-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-pyridinyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7c[nH][n+](-c8ccc(-c9ccc(-c%10cccnc%10)nc9)n9nc(NC(=O)C%10CC%10)nc89)c7)cc6)n6nc(NC(=O)C7CC7)nc56)nc4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-[6-[2-(cyclopropanecarbonylamino)-5-[4-[2-[2-(cyclopropanecarbonylamino)-5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazol-2-ium-4-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-pyridinyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is WWZPGYHLQRTTIU-UHFFFAOYSA-O. The full InChI is InChI=1S/C60H45N17O3/c78-55(38-14-15-38)68-58-65-52-5-1-4-48(75(52)71-58)36-10-6-34(7-11-36)41-20-24-47(63-30-41)45-22-25-49(76-53(45)66-59(72-76)69-56(79)39-16-17-39)37-12-8-35(9-13-37)44-32-64-74(33-44)51-27-26-50(43-21-23-46(62-31-43)42-3-2-28-61-29-42)77-54(51)67-60(73-77)70-57(80)40-18-19-40/h1-13,20-33,38-40H,14-19H2,(H3,68,69,70,71,72,73,78,79,80)/p+1.
What are the key properties of N-[5-[4-[6-[2-(cyclopropanecarbonylamino)-5-[4-[2-[2-(cyclopropanecarbonylamino)-5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazol-2-ium-4-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-pyridinyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[6-[2-(cyclopropanecarbonylamino)-5-[4-[2-[2-(cyclopropanecarbonylamino)-5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazol-2-ium-4-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-pyridinyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 1053.14 g/mol, XLogP of 9.32, 14 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[6-[2-(cyclopropanecarbonylamino)-5-[4-[2-[2-(cyclopropanecarbonylamino)-5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazol-2-ium-4-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-pyridinyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 90890129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).