6-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one

C16H19N5O2 — CID 31106795

IUPAC6-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCc3[nH]nc(C4CCC4)c3C2)ccc1=O
InChIInChI=1S/C16H19N5O2/c1-20-14(22)6-5-13(19-20)16(23)21-8-7-12-11(9-21)15(18-17-12)10-3-2-4-10/h5-6,10H,2-4,7-9H2,1H3,(H,17,18)
InChIKeyMCNGTVRYGWWFMW-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.97
Rot. Bonds2

About 6-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one

6-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one (PubChem CID 31106795) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one
PubChem CID31106795
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name6-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCc3[nH]nc(C4CCC4)c3C2)ccc1=O
InChIInChI=1S/C16H19N5O2/c1-20-14(22)6-5-13(19-20)16(23)21-8-7-12-11(9-21)15(18-17-12)10-3-2-4-10/h5-6,10H,2-4,7-9H2,1H3,(H,17,18)
InChIKeyMCNGTVRYGWWFMW-UHFFFAOYSA-N
XLogP0.97
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one with MolForge

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Related Compounds

(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-cycloheptylmethanone
CID 46984747
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 39826456
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 31073625
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-1H-indol-2-yl)methanone
CID 142576923
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one
CID 42443203
5-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one
CID 154567827
(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 72838770
1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(1-propylpiperidin-4-yl)ethanone
CID 50954190
6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 43391811
6-[4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)phenyl]-2-methylpyridazin-3-one
CID 122566176
6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 51327441
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-6-fluoro-1H-indol-2-yl)methanone
CID 142576723

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one (CID 31106795) is 6-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CCc3[nH]nc(C4CCC4)c3C2)ccc1=O.
What is the InChIKey of 6-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one?
The InChIKey is MCNGTVRYGWWFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-20-14(22)6-5-13(19-20)16(23)21-8-7-12-11(9-21)15(18-17-12)10-3-2-4-10/h5-6,10H,2-4,7-9H2,1H3,(H,17,18).
What are the key properties of 6-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one?
6-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one has a molecular weight of 313.36 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 31106795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).