4-chloro-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine

C17H16ClF5N4 — CID 87761886

IUPAC4-chloro-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFc1ccc(CN2CCC(Nc3nnc(C(F)(F)F)cc3Cl)CC2)cc1F
InChIInChI=1S/C17H16ClF5N4/c18-12-8-15(17(21,22)23)25-26-16(12)24-11-3-5-27(6-4-11)9-10-1-2-13(19)14(20)7-10/h1-2,7-8,11H,3-6,9H2,(H,24,26)
InChIKeyDHLSKTIVAGQLSK-UHFFFAOYSA-N
MW406.79 g/mol
LogP4.50
Rot. Bonds4

About 4-chloro-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine

4-chloro-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 87761886) has the molecular formula C17H16ClF5N4 and a molecular weight of 406.79 g/mol. Its IUPAC name is 4-chloro-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-chloro-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID87761886
Molecular FormulaC17H16ClF5N4
Molecular Weight406.79 g/mol
Exact Mass406.10
IUPAC Name4-chloro-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFc1ccc(CN2CCC(Nc3nnc(C(F)(F)F)cc3Cl)CC2)cc1F
InChIInChI=1S/C17H16ClF5N4/c18-12-8-15(17(21,22)23)25-26-16(12)24-11-3-5-27(6-4-11)9-10-1-2-13(19)14(20)7-10/h1-2,7-8,11H,3-6,9H2,(H,24,26)
InChIKeyDHLSKTIVAGQLSK-UHFFFAOYSA-N
XLogP4.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.79
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine with MolForge

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine
CID 154868110
6-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]amino]-5-chloropyridine-3-carboxamide
CID 133366936
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-ethoxypyrimidin-4-amine
CID 133490649
2-(2,5-dichlorophenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide
CID 60550321
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 82919208
N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133386927
6-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridazin-3-amine
CID 59805852
6-chloro-4-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 55829581
N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 7346266
N-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 171999634
1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119857361
2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide
CID 51239211

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of 4-chloro-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine (CID 87761886) is 4-chloro-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for 4-chloro-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for 4-chloro-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine is Fc1ccc(CN2CCC(Nc3nnc(C(F)(F)F)cc3Cl)CC2)cc1F.
What is the InChIKey of 4-chloro-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is DHLSKTIVAGQLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF5N4/c18-12-8-15(17(21,22)23)25-26-16(12)24-11-3-5-27(6-4-11)9-10-1-2-13(19)14(20)7-10/h1-2,7-8,11H,3-6,9H2,(H,24,26).
What are the key properties of 4-chloro-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine?
4-chloro-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 406.79 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 87761886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).