1-[4-(6-cyclopropyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide

C24H27N7O — CID 158510346

IUPAC1-[4-(6-cyclopropyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cn(CCCCc3cc4c(nn3)CC(C3CC3)=C4)nn2)cn1
InChIInChI=1S/C24H27N7O/c1-16-5-6-17(13-25-16)14-26-24(32)23-15-31(30-29-23)9-3-2-4-21-11-20-10-19(18-7-8-18)12-22(20)28-27-21/h5-6,10-11,13,15,18H,2-4,7-9,12,14H2,1H3,(H,26,32)
InChIKeyHKYYYFKHFDKHEK-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.07
Rot. Bonds9

About 1-[4-(6-cyclopropyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide

1-[4-(6-cyclopropyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide (PubChem CID 158510346) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 1-[4-(6-cyclopropyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(6-cyclopropyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide
PubChem CID158510346
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name1-[4-(6-cyclopropyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cn(CCCCc3cc4c(nn3)CC(C3CC3)=C4)nn2)cn1
InChIInChI=1S/C24H27N7O/c1-16-5-6-17(13-25-16)14-26-24(32)23-15-31(30-29-23)9-3-2-4-21-11-20-10-19(18-7-8-18)12-22(20)28-27-21/h5-6,10-11,13,15,18H,2-4,7-9,12,14H2,1H3,(H,26,32)
InChIKeyHKYYYFKHFDKHEK-UHFFFAOYSA-N
XLogP3.07
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[3-[4-[4-[(6-methyl-3-pyridinyl)methylcarbamoyl]triazol-1-yl]butyl]-7H-cyclopenta[c]pyridazin-6-yl]azetidine-1-carboxylate
CID 159706679
1-[4-(6-cyclopropyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-[(2-methoxy-4-pyridinyl)methyl]triazole-4-carboxamide
CID 157170216
1-[4-(6-cyclopropyl-5-iodo-7H-pyrrolo[2,3-c]pyridazin-3-yl)butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide
CID 118620727
propan-2-yl 3-[3-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-7H-cyclopenta[c]pyridazin-6-yl]azetidine-1-carboxylate
CID 157262067
1-[4-[6-cyclopropyl-5-(2,4-dimethoxypyrimidin-5-yl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide
CID 118620792
1-[4-[6-(3,5-difluorophenyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide
CID 118621037
tert-butyl 4-[6-cyclopropyl-3-[4-[4-[(6-methyl-3-pyridinyl)methylcarbamoyl]triazol-1-yl]butyl]-7H-pyrrolo[2,3-c]pyridazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 118620919
1-[4-[6-(2-fluorophenyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide
CID 118620800
N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-[4-[6-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)azetidin-3-yl]-7H-cyclopenta[c]pyridazin-3-yl]butyl]triazole-4-carboxamide
CID 158270672
1-[4-(6-cyclopropyl-5-methyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 149107912
N-[(6-methyl-3-pyridinyl)methyl]-1-[4-[6-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]butyl]triazole-4-carboxamide
CID 118620796
1-[4-[amino-[(E)-2-amino-2-(methylamino)ethenyl]amino]butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide
CID 154982358

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-cyclopropyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-[4-(6-cyclopropyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide (CID 158510346) is 1-[4-(6-cyclopropyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[4-(6-cyclopropyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-[4-(6-cyclopropyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide is Cc1ccc(CNC(=O)c2cn(CCCCc3cc4c(nn3)CC(C3CC3)=C4)nn2)cn1.
What is the InChIKey of 1-[4-(6-cyclopropyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide?
The InChIKey is HKYYYFKHFDKHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-16-5-6-17(13-25-16)14-26-24(32)23-15-31(30-29-23)9-3-2-4-21-11-20-10-19(18-7-8-18)12-22(20)28-27-21/h5-6,10-11,13,15,18H,2-4,7-9,12,14H2,1H3,(H,26,32).
What are the key properties of 1-[4-(6-cyclopropyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide?
1-[4-(6-cyclopropyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide has a molecular weight of 429.53 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-cyclopropyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 158510346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).