6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-6-fluoro-3-methoxyphenyl)pyridazin-3-one

C23H22ClFN8O2 — CID 129057346

IUPAC6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-6-fluoro-3-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(F)c(-n2nc(-c3nc(-c4cnn(C5CCNCC5)c4)cnc3N)ccc2=O)c1Cl
InChIInChI=1S/C23H22ClFN8O2/c1-35-18-4-2-15(25)22(20(18)24)33-19(34)5-3-16(31-33)21-23(26)28-11-17(30-21)13-10-29-32(12-13)14-6-8-27-9-7-14/h2-5,10-12,14,27H,6-9H2,1H3,(H2,26,28)
InChIKeyXBHHHGSNGZPEIZ-UHFFFAOYSA-N
MW496.93 g/mol
LogP2.86
Rot. Bonds5

About 6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-6-fluoro-3-methoxyphenyl)pyridazin-3-one

6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-6-fluoro-3-methoxyphenyl)pyridazin-3-one (PubChem CID 129057346) has the molecular formula C23H22ClFN8O2 and a molecular weight of 496.93 g/mol. Its IUPAC name is 6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-6-fluoro-3-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-6-fluoro-3-methoxyphenyl)pyridazin-3-one
PubChem CID129057346
Molecular FormulaC23H22ClFN8O2
Molecular Weight496.93 g/mol
Exact Mass496.15
IUPAC Name6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-6-fluoro-3-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(F)c(-n2nc(-c3nc(-c4cnn(C5CCNCC5)c4)cnc3N)ccc2=O)c1Cl
InChIInChI=1S/C23H22ClFN8O2/c1-35-18-4-2-15(25)22(20(18)24)33-19(34)5-3-16(31-33)21-23(26)28-11-17(30-21)13-10-29-32(12-13)14-6-8-27-9-7-14/h2-5,10-12,14,27H,6-9H2,1H3,(H2,26,28)
InChIKeyXBHHHGSNGZPEIZ-UHFFFAOYSA-N
XLogP2.86
TPSA125.77 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.93
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-6-fluoro-3-methoxyphenyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[4-[5-amino-6-[1-(2,6-dichloro-3,5-dimethoxyphenyl)-5-methyl-6-oxopyridazin-3-yl]pyrazin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 129057323
3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 146185142
[[3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]amino] acetate
CID 87262498
3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylic acid
CID 163221724
3-[2-(2-chloro-3,6-difluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 123322795
6-[3-amino-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one
CID 129066816
3-[1-(2-chloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 175673274
5-(1-piperidin-4-ylpyrazol-4-yl)-3-[(1S)-1,2,2,2-tetradeuterio-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 72704813
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 158674687
3-[1-(2-chloro-3,5-difluorophenyl)ethylsulfanyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 66549132
[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 86269799
[(1R)-1-(2-chlorophenyl)-2-(4-fluoroanilino)-2-oxoethyl] 3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylate;hydrochloride
CID 163284493

Frequently Asked Questions

What is the IUPAC name of 6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-6-fluoro-3-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-6-fluoro-3-methoxyphenyl)pyridazin-3-one (CID 129057346) is 6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-6-fluoro-3-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-6-fluoro-3-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-6-fluoro-3-methoxyphenyl)pyridazin-3-one is COc1ccc(F)c(-n2nc(-c3nc(-c4cnn(C5CCNCC5)c4)cnc3N)ccc2=O)c1Cl.
What is the InChIKey of 6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-6-fluoro-3-methoxyphenyl)pyridazin-3-one?
The InChIKey is XBHHHGSNGZPEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN8O2/c1-35-18-4-2-15(25)22(20(18)24)33-19(34)5-3-16(31-33)21-23(26)28-11-17(30-21)13-10-29-32(12-13)14-6-8-27-9-7-14/h2-5,10-12,14,27H,6-9H2,1H3,(H2,26,28).
What are the key properties of 6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-6-fluoro-3-methoxyphenyl)pyridazin-3-one?
6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-6-fluoro-3-methoxyphenyl)pyridazin-3-one has a molecular weight of 496.93 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-6-fluoro-3-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 129057346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).