(3R)-1-[(1S,2S,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-amine

C20H24F2N4O — CID 152696310

IUPAC(3R)-1-[(1S,2S,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-amine
SMILESN[C@@H]1CCCN([C@H]2C[C@@H](c3ccc(F)cc3)C[C@@H]2Oc2cc(F)cnn2)C1
InChIInChI=1S/C20H24F2N4O/c21-15-5-3-13(4-6-15)14-8-18(26-7-1-2-17(23)12-26)19(9-14)27-20-10-16(22)11-24-25-20/h3-6,10-11,14,17-19H,1-2,7-9,12,23H2/t14-,17-,18+,19+/m1/s1
InChIKeyZQPYFSHNTYXOFX-OAOYMFHYSA-N
MW374.44 g/mol
LogP2.87
Rot. Bonds4

About (3R)-1-[(1S,2S,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-amine

(3R)-1-[(1S,2S,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-amine (PubChem CID 152696310) has the molecular formula C20H24F2N4O and a molecular weight of 374.44 g/mol. Its IUPAC name is (3R)-1-[(1S,2S,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(1S,2S,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-amine
PubChem CID152696310
Molecular FormulaC20H24F2N4O
Molecular Weight374.44 g/mol
Exact Mass374.19
IUPAC Name(3R)-1-[(1S,2S,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-amine
SMILESN[C@@H]1CCCN([C@H]2C[C@@H](c3ccc(F)cc3)C[C@@H]2Oc2cc(F)cnn2)C1
InChIInChI=1S/C20H24F2N4O/c21-15-5-3-13(4-6-15)14-8-18(26-7-1-2-17(23)12-26)19(9-14)27-20-10-16(22)11-24-25-20/h3-6,10-11,14,17-19H,1-2,7-9,12,23H2/t14-,17-,18+,19+/m1/s1
InChIKeyZQPYFSHNTYXOFX-OAOYMFHYSA-N
XLogP2.87
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[(1S,2S,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-amine with MolForge

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Related Compounds

US11274091, Example 22
CID 146240774
US11274091, Example 25
CID 146240802
US11274091, Example 26
CID 146240924
US11274091, Example 28
CID 146240935
US11274091, Example 24
CID 146240992
US11274091, Example 27
CID 146923992
US11274091, Example 23
CID 148713224
5-(4-Cyclohexyloxyphenyl)-3-[4-(difluoromethyl)piperidin-3-yl]oxypyridazine
CID 123791264
6-[2-[(3S)-3-aminopiperidin-1-yl]-4-(4-fluorophenyl)cyclopentyl]oxypyridine-3-carbonitrile
CID 146240736
[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

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1S,2S,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-amine?
The IUPAC name of (3R)-1-[(1S,2S,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-amine (CID 152696310) is (3R)-1-[(1S,2S,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[(1S,2S,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[(1S,2S,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-amine is N[C@@H]1CCCN([C@H]2C[C@@H](c3ccc(F)cc3)C[C@@H]2Oc2cc(F)cnn2)C1.
What is the InChIKey of (3R)-1-[(1S,2S,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-amine?
The InChIKey is ZQPYFSHNTYXOFX-OAOYMFHYSA-N. The full InChI is InChI=1S/C20H24F2N4O/c21-15-5-3-13(4-6-15)14-8-18(26-7-1-2-17(23)12-26)19(9-14)27-20-10-16(22)11-24-25-20/h3-6,10-11,14,17-19H,1-2,7-9,12,23H2/t14-,17-,18+,19+/m1/s1.
What are the key properties of (3R)-1-[(1S,2S,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-amine?
(3R)-1-[(1S,2S,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-amine has a molecular weight of 374.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1S,2S,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-amine is sourced from PubChem (CID 152696310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).