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

C21H24F2N4O3 — CID 146240917

IUPAC[(1R,2R,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid
SMILESO=C(O)N([C@@H]1CCCNC1)[C@@H]1C[C@@H](c2ccc(F)cc2)C[C@H]1Oc1cc(F)cnn1
InChIInChI=1S/C21H24F2N4O3/c22-15-5-3-13(4-6-15)14-8-18(27(21(28)29)17-2-1-7-24-12-17)19(9-14)30-20-10-16(23)11-25-26-20/h3-6,10-11,14,17-19,24H,1-2,7-9,12H2,(H,28,29)/t14-,17-,18-,19-/m1/s1
InChIKeyYSIUFWLUIPRMBU-UTRMSSBJSA-N
MW418.44 g/mol
LogP3.18
Rot. Bonds5

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

[(1R,2R,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid (PubChem CID 146240917) has the molecular formula C21H24F2N4O3 and a molecular weight of 418.44 g/mol. Its IUPAC name is [(1R,2R,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(1R,2R,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid
PubChem CID146240917
Molecular FormulaC21H24F2N4O3
Molecular Weight418.44 g/mol
Exact Mass418.18
IUPAC Name[(1R,2R,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid
SMILESO=C(O)N([C@@H]1CCCNC1)[C@@H]1C[C@@H](c2ccc(F)cc2)C[C@H]1Oc1cc(F)cnn1
InChIInChI=1S/C21H24F2N4O3/c22-15-5-3-13(4-6-15)14-8-18(27(21(28)29)17-2-1-7-24-12-17)19(9-14)30-20-10-16(23)11-25-26-20/h3-6,10-11,14,17-19,24H,1-2,7-9,12H2,(H,28,29)/t14-,17-,18-,19-/m1/s1
InChIKeyYSIUFWLUIPRMBU-UTRMSSBJSA-N
XLogP3.18
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1R,2R,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid 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
US11274091, Example 23
CID 148713224
5-(4-Cyclohexyloxyphenyl)-3-[4-(difluoromethyl)piperidin-3-yl]oxypyridazine
CID 123791264
[2-[(5-cyano-2-pyridinyl)oxy]-4-(4-fluorophenyl)cyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid
CID 146240913
[(1R,2R,4R)-2-[(5-cyano-2-pyridinyl)oxy]-4-(4-fluorophenyl)cyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid
CID 146240914
[4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid
CID 146240915
piperidin-3-yl N-[2-(5-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]carbamate
CID 146240927
[2-(6-cyano-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-[(3R,5R)-5-fluoropiperidin-3-yl]carbamic acid
CID 146240979
[(1R,2R,4R)-2-(6-cyano-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-[(3R,5R)-5-fluoropiperidin-3-yl]carbamic acid
CID 146240980

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid?
The IUPAC name of [(1R,2R,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid (CID 146240917) is [(1R,2R,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid.
What is the SMILES notation for [(1R,2R,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid?
The canonical SMILES for [(1R,2R,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid is O=C(O)N([C@@H]1CCCNC1)[C@@H]1C[C@@H](c2ccc(F)cc2)C[C@H]1Oc1cc(F)cnn1.
What is the InChIKey of [(1R,2R,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid?
The InChIKey is YSIUFWLUIPRMBU-UTRMSSBJSA-N. The full InChI is InChI=1S/C21H24F2N4O3/c22-15-5-3-13(4-6-15)14-8-18(27(21(28)29)17-2-1-7-24-12-17)19(9-14)30-20-10-16(23)11-25-26-20/h3-6,10-11,14,17-19,24H,1-2,7-9,12H2,(H,28,29)/t14-,17-,18-,19-/m1/s1.
What are the key properties of [(1R,2R,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid?
[(1R,2R,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid has a molecular weight of 418.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]-[(3R)-piperidin-3-yl]carbamic acid is sourced from PubChem (CID 146240917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).