N-[6-[1-[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C26H25N7O2 — CID 59233041

IUPACN-[6-[1-[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCOc1ccc(-c2ccc3nnc(C(C)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cc1C
InChIInChI=1S/C26H25N7O2/c1-15-12-18(6-9-21(15)35-3)19-7-10-24-29-30-25(32(24)13-19)16(2)20-8-11-23-27-22(14-33(23)31-20)28-26(34)17-4-5-17/h6-14,16-17H,4-5H2,1-3H3,(H,28,34)
InChIKeyWHLUPAPJTCKYFK-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.26
Rot. Bonds6

About N-[6-[1-[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[1-[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233041) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[6-[1-[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[1-[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233041
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC NameN-[6-[1-[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCOc1ccc(-c2ccc3nnc(C(C)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cc1C
InChIInChI=1S/C26H25N7O2/c1-15-12-18(6-9-21(15)35-3)19-7-10-24-29-30-25(32(24)13-19)16(2)20-8-11-23-27-22(14-33(23)31-20)28-26(34)17-4-5-17/h6-14,16-17H,4-5H2,1-3H3,(H,28,34)
InChIKeyWHLUPAPJTCKYFK-UHFFFAOYSA-N
XLogP4.26
TPSA98.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-[1-[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

15-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 142411827
2-[4-[4-[[7-(2-Methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
CID 57403118
8-(4-Methoxyphenyl)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59199121
N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44454940
N-[5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142477311
N-[5-[2-(difluoromethoxy)-5-ethylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162656118
N-[(3S)-1-[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N,2-dimethylpropanamide
CID 168282980
N-[(3S)-1-[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N,2,2-trimethylpropanamide
CID 168291872
N-[5-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 42599880
2-(4-methoxyphenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53320947
4-methoxy-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766931
N-[6-(6-amino-5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 59251922

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[1-[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233041) is N-[6-[1-[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[1-[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[1-[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is COc1ccc(-c2ccc3nnc(C(C)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cc1C.
What is the InChIKey of N-[6-[1-[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is WHLUPAPJTCKYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-15-12-18(6-9-21(15)35-3)19-7-10-24-29-30-25(32(24)13-19)16(2)20-8-11-23-27-22(14-33(23)31-20)28-26(34)17-4-5-17/h6-14,16-17H,4-5H2,1-3H3,(H,28,34).
What are the key properties of N-[6-[1-[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[1-[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 467.53 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).