1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-amine

C20H24ClFN4O — CID 148713224

IUPAC1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-amine
SMILESNC1CCCN(C2CC(c3ccc(F)cc3)CC2Oc2nnccc2Cl)C1
InChIInChI=1S/C20H24ClFN4O/c21-17-7-8-24-25-20(17)27-19-11-14(13-3-5-15(22)6-4-13)10-18(19)26-9-1-2-16(23)12-26/h3-8,14,16,18-19H,1-2,9-12,23H2
InChIKeyNXPWFBZGNLXYOL-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.39
Rot. Bonds4

About 1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-amine

1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-amine (PubChem CID 148713224) has the molecular formula C20H24ClFN4O and a molecular weight of 390.89 g/mol. Its IUPAC name is 1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-amine
PubChem CID148713224
Molecular FormulaC20H24ClFN4O
Molecular Weight390.89 g/mol
Exact Mass390.16
IUPAC Name1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-amine
SMILESNC1CCCN(C2CC(c3ccc(F)cc3)CC2Oc2nnccc2Cl)C1
InChIInChI=1S/C20H24ClFN4O/c21-17-7-8-24-25-20(17)27-19-11-14(13-3-5-15(22)6-4-13)10-18(19)26-9-1-2-16(23)12-26/h3-8,14,16,18-19H,1-2,9-12,23H2
InChIKeyNXPWFBZGNLXYOL-UHFFFAOYSA-N
XLogP3.39
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-amine with MolForge

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Related Compounds

US11274091, Example 22
CID 146240774
US11274091, Example 25
CID 146240802
US11274091, Example 28
CID 146240935
US11274091, Example 24
CID 146240992
[4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid
CID 146240915
[(1R,2R,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid
CID 146240917
piperidin-3-yl N-[2-(5-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]carbamate
CID 146240927
[(3R)-1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-yl]carbamic acid
CID 146240981
[1-[4-(4-Fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-yl]carbamic acid
CID 146240984
[(3R)-1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-yl] carbamate
CID 146240993
[1-[2-(4-Chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-yl] carbamate
CID 146240994
[1-[2-(6-Chloro-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-5-fluoropiperidin-3-yl] carbamate
CID 146243577

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-amine?
The IUPAC name of 1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-amine (CID 148713224) is 1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-amine.
What is the SMILES notation for 1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-amine?
The canonical SMILES for 1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-amine is NC1CCCN(C2CC(c3ccc(F)cc3)CC2Oc2nnccc2Cl)C1.
What is the InChIKey of 1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-amine?
The InChIKey is NXPWFBZGNLXYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN4O/c21-17-7-8-24-25-20(17)27-19-11-14(13-3-5-15(22)6-4-13)10-18(19)26-9-1-2-16(23)12-26/h3-8,14,16,18-19H,1-2,9-12,23H2.
What are the key properties of 1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-amine?
1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-amine has a molecular weight of 390.89 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-amine is sourced from PubChem (CID 148713224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).