1-[1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-4-yl]piperidin-4-one

C18H18N6O2 — CID 170625148

IUPAC1-[1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-4-yl]piperidin-4-one
SMILESNc1nnc(-c2ccccc2O)cc1-n1cc(N2CCC(=O)CC2)cn1
InChIInChI=1S/C18H18N6O2/c19-18-16(9-15(21-22-18)14-3-1-2-4-17(14)26)24-11-12(10-20-24)23-7-5-13(25)6-8-23/h1-4,9-11,26H,5-8H2,(H2,19,22)
InChIKeyCKEPHKPOVYXIKR-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.79
Rot. Bonds3

About 1-[1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-4-yl]piperidin-4-one

1-[1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-4-yl]piperidin-4-one (PubChem CID 170625148) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-[1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-4-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-4-yl]piperidin-4-one
PubChem CID170625148
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name1-[1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-4-yl]piperidin-4-one
SMILESNc1nnc(-c2ccccc2O)cc1-n1cc(N2CCC(=O)CC2)cn1
InChIInChI=1S/C18H18N6O2/c19-18-16(9-15(21-22-18)14-3-1-2-4-17(14)26)24-11-12(10-20-24)23-7-5-13(25)6-8-23/h1-4,9-11,26H,5-8H2,(H2,19,22)
InChIKeyCKEPHKPOVYXIKR-UHFFFAOYSA-N
XLogP1.79
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]benzaldehyde
CID 155390949
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone;ethane
CID 160949822
4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1-phenylpiperazin-2-one
CID 137029448
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 147428670
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane
CID 171638010
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 169079538
1-[(2R,6R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,6-dimethylpiperazin-1-yl]ethanone
CID 137029449
2-[6-amino-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyridazin-3-yl]phenol
CID 137029572
(3R)-3-[8-[(3S)-1-[[1-[1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-4-yl]piperidin-4-yl]methyl]pyrrolidin-3-yl]-2,3-dihydro-1,4-benzoxazin-4-yl]piperidine-2,6-dione
CID 170624469
3-[8-[(3S)-1-[[1-[1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-4-yl]piperidin-4-yl]methyl]pyrrolidin-3-yl]-2,3-dihydro-1,4-benzoxazin-4-yl]piperidine-2,6-dione
CID 170624785
2-[6-amino-5-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenol
CID 152825660
2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 171638960

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-4-yl]piperidin-4-one?
The IUPAC name of 1-[1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-4-yl]piperidin-4-one (CID 170625148) is 1-[1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-4-yl]piperidin-4-one.
What is the SMILES notation for 1-[1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-4-yl]piperidin-4-one?
The canonical SMILES for 1-[1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-4-yl]piperidin-4-one is Nc1nnc(-c2ccccc2O)cc1-n1cc(N2CCC(=O)CC2)cn1.
What is the InChIKey of 1-[1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-4-yl]piperidin-4-one?
The InChIKey is CKEPHKPOVYXIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c19-18-16(9-15(21-22-18)14-3-1-2-4-17(14)26)24-11-12(10-20-24)23-7-5-13(25)6-8-23/h1-4,9-11,26H,5-8H2,(H2,19,22).
What are the key properties of 1-[1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-4-yl]piperidin-4-one?
1-[1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-4-yl]piperidin-4-one has a molecular weight of 350.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-4-yl]piperidin-4-one is sourced from PubChem (CID 170625148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).