1-[4-(6-cyclopropyl-5-methyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

C24H27N7O — CID 149107912

IUPAC1-[4-(6-cyclopropyl-5-methyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESCC1=C(C2CC2)Cc2nnc(CCCCn3cc(C(=O)NCc4ccccn4)nn3)cc21
InChIInChI=1S/C24H27N7O/c1-16-20(17-8-9-17)13-22-21(16)12-18(27-28-22)6-3-5-11-31-15-23(29-30-31)24(32)26-14-19-7-2-4-10-25-19/h2,4,7,10,12,15,17H,3,5-6,8-9,11,13-14H2,1H3,(H,26,32)
InChIKeyQWCSWPAQDKGKKO-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.16
Rot. Bonds9

About 1-[4-(6-cyclopropyl-5-methyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

1-[4-(6-cyclopropyl-5-methyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (PubChem CID 149107912) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 1-[4-(6-cyclopropyl-5-methyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(6-cyclopropyl-5-methyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
PubChem CID149107912
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name1-[4-(6-cyclopropyl-5-methyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESCC1=C(C2CC2)Cc2nnc(CCCCn3cc(C(=O)NCc4ccccn4)nn3)cc21
InChIInChI=1S/C24H27N7O/c1-16-20(17-8-9-17)13-22-21(16)12-18(27-28-22)6-3-5-11-31-15-23(29-30-31)24(32)26-14-19-7-2-4-10-25-19/h2,4,7,10,12,15,17H,3,5-6,8-9,11,13-14H2,1H3,(H,26,32)
InChIKeyQWCSWPAQDKGKKO-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
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

1-[4-[6-cyclopropyl-5-[4-(trifluoromethyl)phenyl]-7H-cyclopenta[c]pyridazin-3-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 158026740
N-(pyridin-2-ylmethyl)-1-[4-(7H-pyrrolo[2,3-c]pyridazin-3-yl)butyl]triazole-4-carboxamide
CID 118620879
1-[4-(5-cyclopropyl-6-pyridin-2-yl-7H-cyclopenta[c]pyridazin-3-yl)butyl]triazole-4-carboxylic acid
CID 158695570
1-[4-(5-cyclopropyl-6-pyridin-2-yl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 147466537
1-[4-[4-[(2-cyclopentylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 118640748
1-[4-(6-cyclopropyl-5-pyrimidin-5-yl-7H-pyrrolo[2,3-c]pyridazin-3-yl)butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 118621000
1-[4-(6-cyclopropyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide
CID 158510346
1-[4-(6-cyclopropyl-7H-pyrrolo[2,3-c]pyridazin-3-yl)butyl]-N-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]triazole-4-carboxamide
CID 118620806
1-[4-(6-cyclopropyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-[(2-methoxy-4-pyridinyl)methyl]triazole-4-carboxamide
CID 157170216
1-[4-[4-[(1-hydroxy-2-pyridin-2-ylethyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 148527200
1-[4-(6-cyclopropyl-7H-pyrrolo[2,3-c]pyridazin-3-yl)butyl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
CID 118621018
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-cyclopropyl-5-methyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-[4-(6-cyclopropyl-5-methyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (CID 149107912) is 1-[4-(6-cyclopropyl-5-methyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[4-(6-cyclopropyl-5-methyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-[4-(6-cyclopropyl-5-methyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is CC1=C(C2CC2)Cc2nnc(CCCCn3cc(C(=O)NCc4ccccn4)nn3)cc21.
What is the InChIKey of 1-[4-(6-cyclopropyl-5-methyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is QWCSWPAQDKGKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-16-20(17-8-9-17)13-22-21(16)12-18(27-28-22)6-3-5-11-31-15-23(29-30-31)24(32)26-14-19-7-2-4-10-25-19/h2,4,7,10,12,15,17H,3,5-6,8-9,11,13-14H2,1H3,(H,26,32).
What are the key properties of 1-[4-(6-cyclopropyl-5-methyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
1-[4-(6-cyclopropyl-5-methyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 429.53 g/mol, XLogP of 3.16, 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-5-methyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 149107912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).