2-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

C20H20N6O2 — CID 126929646

IUPAC2-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=C(c1cc(C2CC2)[nH]n1)N1CC(Cn2nc(-c3ccncc3)ccc2=O)C1
InChIInChI=1S/C20H20N6O2/c27-19-4-3-16(15-5-7-21-8-6-15)24-26(19)12-13-10-25(11-13)20(28)18-9-17(22-23-18)14-1-2-14/h3-9,13-14H,1-2,10-12H2,(H,22,23)
InChIKeyMDVYDSBXVAXHGM-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.68
Rot. Bonds5

About 2-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

2-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126929646) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126929646
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name2-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=C(c1cc(C2CC2)[nH]n1)N1CC(Cn2nc(-c3ccncc3)ccc2=O)C1
InChIInChI=1S/C20H20N6O2/c27-19-4-3-16(15-5-7-21-8-6-15)24-26(19)12-13-10-25(11-13)20(28)18-9-17(22-23-18)14-1-2-14/h3-9,13-14H,1-2,10-12H2,(H,22,23)
InChIKeyMDVYDSBXVAXHGM-UHFFFAOYSA-N
XLogP1.68
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one with MolForge

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Related Compounds

N-cyclopentyl-3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidine-1-carboxamide
CID 126929617
2-[[1-(isoquinoline-1-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929610
3-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944769
5-cyclopropyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1H-pyrazole-3-carboxamide
CID 126936613
2-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929592
2-[[1-(1-methylpiperidine-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929624
(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 135112662
2-[[1-(3-methoxy-2-methylindazole-6-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929639
2-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862756
2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929278
2-[[1-(azepan-1-ylsulfonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929740
2-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863401

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (CID 126929646) is 2-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is O=C(c1cc(C2CC2)[nH]n1)N1CC(Cn2nc(-c3ccncc3)ccc2=O)C1.
What is the InChIKey of 2-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is MDVYDSBXVAXHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c27-19-4-3-16(15-5-7-21-8-6-15)24-26(19)12-13-10-25(11-13)20(28)18-9-17(22-23-18)14-1-2-14/h3-9,13-14H,1-2,10-12H2,(H,22,23).
What are the key properties of 2-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
2-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 376.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126929646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).