3-[(4-fluorophenyl)methyl]-4-methyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine

C22H21F4N5 — CID 57471599

IUPAC3-[(4-fluorophenyl)methyl]-4-methyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
SMILESCc1cc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nnc1Cc1ccc(F)cc1
InChIInChI=1S/C22H21F4N5/c1-15-12-21(29-28-19(15)13-16-2-5-18(23)6-3-16)31-10-8-30(9-11-31)20-7-4-17(14-27-20)22(24,25)26/h2-7,12,14H,8-11,13H2,1H3
InChIKeyGAMNLGLXWJLRAM-UHFFFAOYSA-N
MW431.44 g/mol
LogP4.26
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-4-methyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine

3-[(4-fluorophenyl)methyl]-4-methyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine (PubChem CID 57471599) has the molecular formula C22H21F4N5 and a molecular weight of 431.44 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-4-methyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-4-methyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
PubChem CID57471599
Molecular FormulaC22H21F4N5
Molecular Weight431.44 g/mol
Exact Mass431.17
IUPAC Name3-[(4-fluorophenyl)methyl]-4-methyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
SMILESCc1cc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nnc1Cc1ccc(F)cc1
InChIInChI=1S/C22H21F4N5/c1-15-12-21(29-28-19(15)13-16-2-5-18(23)6-3-16)31-10-8-30(9-11-31)20-7-4-17(14-27-20)22(24,25)26/h2-7,12,14H,8-11,13H2,1H3
InChIKeyGAMNLGLXWJLRAM-UHFFFAOYSA-N
XLogP4.26
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 3702315
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]methanamine
CID 162561444
(1R)-1-(4-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
CID 7189249
2-[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]acetonitrile
CID 59191484
1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 45277944
1-[6-[4-[6-[(4-fluorophenyl)methyl]-4-methylpyridazin-3-yl]piperazin-1-yl]-3-pyridinyl]-N-methylmethanamine
CID 71066688
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 38559713
4,5-dimethyl-3-[(1-methyltetrazol-5-yl)methyl]-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 59191454
[2-(4-fluorophenyl)tetrazol-5-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 71791476

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-4-methyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-4-methyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine (CID 57471599) is 3-[(4-fluorophenyl)methyl]-4-methyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-4-methyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-4-methyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine is Cc1cc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nnc1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-4-methyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine?
The InChIKey is GAMNLGLXWJLRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F4N5/c1-15-12-21(29-28-19(15)13-16-2-5-18(23)6-3-16)31-10-8-30(9-11-31)20-7-4-17(14-27-20)22(24,25)26/h2-7,12,14H,8-11,13H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-4-methyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine?
3-[(4-fluorophenyl)methyl]-4-methyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine has a molecular weight of 431.44 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-4-methyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine is sourced from PubChem (CID 57471599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).