6-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-2-methylpyridazin-3-one

C19H24N6O3 — CID 126891075

IUPAC6-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCOc1cc(N(C2CC2)C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)ncn1
InChIInChI=1S/C19H24N6O3/c1-23-18(26)6-5-15(22-23)19(27)24-9-7-14(8-10-24)25(13-3-4-13)16-11-17(28-2)21-12-20-16/h5-6,11-14H,3-4,7-10H2,1-2H3
InChIKeyQYXJASMTRFNWOZ-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.85
Rot. Bonds5

About 6-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-2-methylpyridazin-3-one

6-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-2-methylpyridazin-3-one (PubChem CID 126891075) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 6-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-2-methylpyridazin-3-one
PubChem CID126891075
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name6-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCOc1cc(N(C2CC2)C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)ncn1
InChIInChI=1S/C19H24N6O3/c1-23-18(26)6-5-15(22-23)19(27)24-9-7-14(8-10-24)25(13-3-4-13)16-11-17(28-2)21-12-20-16/h5-6,11-14H,3-4,7-10H2,1-2H3
InChIKeyQYXJASMTRFNWOZ-UHFFFAOYSA-N
XLogP0.85
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-2-methylpyridazin-3-one with MolForge

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Related Compounds

3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126891105
[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 126891112
6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 43391811
N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 126891211
6-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 122332267
3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpiperidin-2-one
CID 126891300
N-cyclopropyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 171326432
[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone
CID 126890444
6-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 90516980
N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 126851874
6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 51327441
6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 80707142

Frequently Asked Questions

What is the IUPAC name of 6-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-2-methylpyridazin-3-one (CID 126891075) is 6-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-2-methylpyridazin-3-one is COc1cc(N(C2CC2)C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)ncn1.
What is the InChIKey of 6-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is QYXJASMTRFNWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-23-18(26)6-5-15(22-23)19(27)24-9-7-14(8-10-24)25(13-3-4-13)16-11-17(28-2)21-12-20-16/h5-6,11-14H,3-4,7-10H2,1-2H3.
What are the key properties of 6-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-2-methylpyridazin-3-one?
6-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 384.44 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 126891075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).