2-[4-[(3S)-3-methylpyrrolidin-1-yl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide

C20H25N7O2 — CID 164914345

IUPAC2-[4-[(3S)-3-methylpyrrolidin-1-yl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
SMILESCC(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)cc1N1CC[C@H](C)C1
InChIInChI=1S/C20H25N7O2/c1-13(2)20-16(25-7-6-14(3)9-25)8-19(29)27(24-20)11-18(28)22-15-4-5-17-23-21-12-26(17)10-15/h4-5,8,10,12-14H,6-7,9,11H2,1-3H3,(H,22,28)/t14-/m0/s1
InChIKeyYVZAOMPTMZSWIQ-AWEZNQCLSA-N
MW395.47 g/mol
LogP1.89
Rot. Bonds5

About 2-[4-[(3S)-3-methylpyrrolidin-1-yl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide

2-[4-[(3S)-3-methylpyrrolidin-1-yl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide (PubChem CID 164914345) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-[4-[(3S)-3-methylpyrrolidin-1-yl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(3S)-3-methylpyrrolidin-1-yl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
PubChem CID164914345
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name2-[4-[(3S)-3-methylpyrrolidin-1-yl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
SMILESCC(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)cc1N1CC[C@H](C)C1
InChIInChI=1S/C20H25N7O2/c1-13(2)20-16(25-7-6-14(3)9-25)8-19(29)27(24-20)11-18(28)22-15-4-5-17-23-21-12-26(17)10-15/h4-5,8,10,12-14H,6-7,9,11H2,1-3H3,(H,22,28)/t14-/m0/s1
InChIKeyYVZAOMPTMZSWIQ-AWEZNQCLSA-N
XLogP1.89
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Risdiplam
CID 118513932
4-(Azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (2-dimethylamino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-amide
CID 71538418
4-(azetidine-1-carbonyl)-N-[2-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-methylpyrazole-5-carboxamide
CID 71538690
1,5-Dimethyl-2-phenyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrazol-3-one
CID 1315303
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (2-isopropyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57378065
N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 62706814
7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one
CID 118513915
7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one
CID 118513929
trans-1-cyclopentyl-6-(1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135860095
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1247949
N-{5-methyl-1-[2-oxo-2-(3-pyridinylamino)ethyl]-1H-pyrazol-3-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1252030
2-methyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide
CID 1484231

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-3-methylpyrrolidin-1-yl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
The IUPAC name of 2-[4-[(3S)-3-methylpyrrolidin-1-yl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide (CID 164914345) is 2-[4-[(3S)-3-methylpyrrolidin-1-yl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide.
What is the SMILES notation for 2-[4-[(3S)-3-methylpyrrolidin-1-yl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
The canonical SMILES for 2-[4-[(3S)-3-methylpyrrolidin-1-yl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide is CC(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)cc1N1CC[C@H](C)C1.
What is the InChIKey of 2-[4-[(3S)-3-methylpyrrolidin-1-yl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
The InChIKey is YVZAOMPTMZSWIQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-13(2)20-16(25-7-6-14(3)9-25)8-19(29)27(24-20)11-18(28)22-15-4-5-17-23-21-12-26(17)10-15/h4-5,8,10,12-14H,6-7,9,11H2,1-3H3,(H,22,28)/t14-/m0/s1.
What are the key properties of 2-[4-[(3S)-3-methylpyrrolidin-1-yl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
2-[4-[(3S)-3-methylpyrrolidin-1-yl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide has a molecular weight of 395.47 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-3-methylpyrrolidin-1-yl]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide is sourced from PubChem (CID 164914345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).