(3,4-difluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

C19H18F2N6O — CID 122345832

IUPAC(3,4-difluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1ccn(-c2ccc(N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)nn2)n1
InChIInChI=1S/C19H18F2N6O/c1-13-6-7-27(24-13)18-5-4-17(22-23-18)25-8-10-26(11-9-25)19(28)14-2-3-15(20)16(21)12-14/h2-7,12H,8-11H2,1H3
InChIKeyDZKDXINYSJIFDM-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.21
Rot. Bonds3

About (3,4-difluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

(3,4-difluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122345832) has the molecular formula C19H18F2N6O and a molecular weight of 384.39 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID122345832
Molecular FormulaC19H18F2N6O
Molecular Weight384.39 g/mol
Exact Mass384.15
IUPAC Name(3,4-difluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1ccn(-c2ccc(N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)nn2)n1
InChIInChI=1S/C19H18F2N6O/c1-13-6-7-27(24-13)18-5-4-17(22-23-18)25-8-10-26(11-9-25)19(28)14-2-3-15(20)16(21)12-14/h2-7,12H,8-11H2,1H3
InChIKeyDZKDXINYSJIFDM-UHFFFAOYSA-N
XLogP2.21
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-difluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334310
(2,5-dichlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121034120
3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile
CID 122345898
(3,4-difluorophenyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 90539451
[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
CID 122345938
(4-butoxyphenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121034127
(4-chlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 56923029
4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 122345827
N,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 133291071
N-(2-fluorophenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 56920257
(3,4-difluorophenyl)-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]methanone
CID 110645884
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122345889

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 122345832) is (3,4-difluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is Cc1ccn(-c2ccc(N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)nn2)n1.
What is the InChIKey of (3,4-difluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is DZKDXINYSJIFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O/c1-13-6-7-27(24-13)18-5-4-17(22-23-18)25-8-10-26(11-9-25)19(28)14-2-3-15(20)16(21)12-14/h2-7,12H,8-11H2,1H3.
What are the key properties of (3,4-difluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
(3,4-difluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 384.39 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122345832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).