[(1R,2R,4R)-2-(6-cyano-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-[(3R,5R)-5-fluoropiperidin-3-yl]carbamic acid

C23H25F2N5O3 — CID 146240980

IUPAC[(1R,2R,4R)-2-(6-cyano-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-[(3R,5R)-5-fluoropiperidin-3-yl]carbamic acid
SMILESCc1cc(C#N)nnc1O[C@@H]1C[C@H](c2ccc(F)cc2)C[C@H]1N(C(=O)O)[C@H]1CNC[C@H](F)C1
InChIInChI=1S/C23H25F2N5O3/c1-13-6-18(10-26)28-29-22(13)33-21-8-15(14-2-4-16(24)5-3-14)7-20(21)30(23(31)32)19-9-17(25)11-27-12-19/h2-6,15,17,19-21,27H,7-9,11-12H2,1H3,(H,31,32)/t15-,17-,19-,20-,21-/m1/s1
InChIKeyUITRWRMBRDMJRZ-KWNXSDKPSA-N
MW457.48 g/mol
LogP3.17
Rot. Bonds5

About [(1R,2R,4R)-2-(6-cyano-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-[(3R,5R)-5-fluoropiperidin-3-yl]carbamic acid

[(1R,2R,4R)-2-(6-cyano-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-[(3R,5R)-5-fluoropiperidin-3-yl]carbamic acid (PubChem CID 146240980) has the molecular formula C23H25F2N5O3 and a molecular weight of 457.48 g/mol. Its IUPAC name is [(1R,2R,4R)-2-(6-cyano-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-[(3R,5R)-5-fluoropiperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(1R,2R,4R)-2-(6-cyano-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-[(3R,5R)-5-fluoropiperidin-3-yl]carbamic acid
PubChem CID146240980
Molecular FormulaC23H25F2N5O3
Molecular Weight457.48 g/mol
Exact Mass457.19
IUPAC Name[(1R,2R,4R)-2-(6-cyano-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-[(3R,5R)-5-fluoropiperidin-3-yl]carbamic acid
SMILESCc1cc(C#N)nnc1O[C@@H]1C[C@H](c2ccc(F)cc2)C[C@H]1N(C(=O)O)[C@H]1CNC[C@H](F)C1
InChIInChI=1S/C23H25F2N5O3/c1-13-6-18(10-26)28-29-22(13)33-21-8-15(14-2-4-16(24)5-3-14)7-20(21)30(23(31)32)19-9-17(25)11-27-12-19/h2-6,15,17,19-21,27H,7-9,11-12H2,1H3,(H,31,32)/t15-,17-,19-,20-,21-/m1/s1
InChIKeyUITRWRMBRDMJRZ-KWNXSDKPSA-N
XLogP3.17
TPSA111.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(1R,2R,4R)-2-(6-cyano-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-[(3R,5R)-5-fluoropiperidin-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
[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
[2-(6-cyano-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-[(3R,5R)-5-fluoropiperidin-3-yl]carbamic acid
CID 146240979
[(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
[1-[2-(6-Chloro-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-5-fluoropiperidin-3-yl] carbamate
CID 146243577
tert-butyl N-[(3R)-1-[2-(4-chloropyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]piperidin-3-yl]carbamate
CID 149648714

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4R)-2-(6-cyano-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-[(3R,5R)-5-fluoropiperidin-3-yl]carbamic acid?
The IUPAC name of [(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) is [(1R,2R,4R)-2-(6-cyano-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-[(3R,5R)-5-fluoropiperidin-3-yl]carbamic acid.
What is the SMILES notation for [(1R,2R,4R)-2-(6-cyano-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-[(3R,5R)-5-fluoropiperidin-3-yl]carbamic acid?
The canonical SMILES for [(1R,2R,4R)-2-(6-cyano-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-[(3R,5R)-5-fluoropiperidin-3-yl]carbamic acid is Cc1cc(C#N)nnc1O[C@@H]1C[C@H](c2ccc(F)cc2)C[C@H]1N(C(=O)O)[C@H]1CNC[C@H](F)C1.
What is the InChIKey of [(1R,2R,4R)-2-(6-cyano-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-[(3R,5R)-5-fluoropiperidin-3-yl]carbamic acid?
The InChIKey is UITRWRMBRDMJRZ-KWNXSDKPSA-N. The full InChI is InChI=1S/C23H25F2N5O3/c1-13-6-18(10-26)28-29-22(13)33-21-8-15(14-2-4-16(24)5-3-14)7-20(21)30(23(31)32)19-9-17(25)11-27-12-19/h2-6,15,17,19-21,27H,7-9,11-12H2,1H3,(H,31,32)/t15-,17-,19-,20-,21-/m1/s1.
What are the key properties of [(1R,2R,4R)-2-(6-cyano-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-[(3R,5R)-5-fluoropiperidin-3-yl]carbamic acid?
[(1R,2R,4R)-2-(6-cyano-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-[(3R,5R)-5-fluoropiperidin-3-yl]carbamic acid has a molecular weight of 457.48 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4R)-2-(6-cyano-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-[(3R,5R)-5-fluoropiperidin-3-yl]carbamic acid is sourced from PubChem (CID 146240980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).