1-[(2-chlorophenyl)methyl]-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine

C24H23ClF3N5 — CID 59191520

IUPAC1-[(2-chlorophenyl)methyl]-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine
SMILESFC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4Cl)c4c3CCC4)CC2)nc1
InChIInChI=1S/C24H23ClF3N5/c25-20-7-2-1-4-16(20)14-21-18-5-3-6-19(18)23(31-30-21)33-12-10-32(11-13-33)22-9-8-17(15-29-22)24(26,27)28/h1-2,4,7-9,15H,3,5-6,10-14H2
InChIKeyNFZHMLDFDHMYJE-UHFFFAOYSA-N
MW473.93 g/mol
LogP4.95
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine

1-[(2-chlorophenyl)methyl]-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine (PubChem CID 59191520) has the molecular formula C24H23ClF3N5 and a molecular weight of 473.93 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine
PubChem CID59191520
Molecular FormulaC24H23ClF3N5
Molecular Weight473.93 g/mol
Exact Mass473.16
IUPAC Name1-[(2-chlorophenyl)methyl]-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine
SMILESFC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4Cl)c4c3CCC4)CC2)nc1
InChIInChI=1S/C24H23ClF3N5/c25-20-7-2-1-4-16(20)14-21-18-5-3-6-19(18)23(31-30-21)33-12-10-32(11-13-33)22-9-8-17(15-29-22)24(26,27)28/h1-2,4,7-9,15H,3,5-6,10-14H2
InChIKeyNFZHMLDFDHMYJE-UHFFFAOYSA-N
XLogP4.95
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.93
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine (CID 59191520) is 1-[(2-chlorophenyl)methyl]-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine is FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4Cl)c4c3CCC4)CC2)nc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The InChIKey is NFZHMLDFDHMYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF3N5/c25-20-7-2-1-4-16(20)14-21-18-5-3-6-19(18)23(31-30-21)33-12-10-32(11-13-33)22-9-8-17(15-29-22)24(26,27)28/h1-2,4,7-9,15H,3,5-6,10-14H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine?
1-[(2-chlorophenyl)methyl]-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine has a molecular weight of 473.93 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine is sourced from PubChem (CID 59191520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).