[1-[2-(6-chloro-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-5-fluoropiperidin-3-yl] carbamate

C22H25ClF2N4O3 — CID 146243577

IUPAC[1-[2-(6-chloro-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-5-fluoropiperidin-3-yl] carbamate
SMILESCc1cc(Cl)nnc1OC1CC(c2ccc(F)cc2)CC1N1CC(F)CC(OC(N)=O)C1
InChIInChI=1S/C22H25ClF2N4O3/c1-12-6-20(23)27-28-21(12)32-19-8-14(13-2-4-15(24)5-3-13)7-18(19)29-10-16(25)9-17(11-29)31-22(26)30/h2-6,14,16-19H,7-11H2,1H3,(H2,26,30)
InChIKeyXIIXBJBYJGUQSU-UHFFFAOYSA-N
MW466.92 g/mol
LogP3.78
Rot. Bonds5

About [1-[2-(6-chloro-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-5-fluoropiperidin-3-yl] carbamate

[1-[2-(6-chloro-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-5-fluoropiperidin-3-yl] carbamate (PubChem CID 146243577) has the molecular formula C22H25ClF2N4O3 and a molecular weight of 466.92 g/mol. Its IUPAC name is [1-[2-(6-chloro-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-5-fluoropiperidin-3-yl] carbamate.

Molecular Properties

Compound Name[1-[2-(6-chloro-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-5-fluoropiperidin-3-yl] carbamate
PubChem CID146243577
Molecular FormulaC22H25ClF2N4O3
Molecular Weight466.92 g/mol
Exact Mass466.16
IUPAC Name[1-[2-(6-chloro-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-5-fluoropiperidin-3-yl] carbamate
SMILESCc1cc(Cl)nnc1OC1CC(c2ccc(F)cc2)CC1N1CC(F)CC(OC(N)=O)C1
InChIInChI=1S/C22H25ClF2N4O3/c1-12-6-20(23)27-28-21(12)32-19-8-14(13-2-4-15(24)5-3-13)7-18(19)29-10-16(25)9-17(11-29)31-22(26)30/h2-6,14,16-19H,7-11H2,1H3,(H2,26,30)
InChIKeyXIIXBJBYJGUQSU-UHFFFAOYSA-N
XLogP3.78
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.92
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[2-(6-chloro-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-5-fluoropiperidin-3-yl] carbamate 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 23
CID 148713224
[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
[(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
[(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

Frequently Asked Questions

What is the IUPAC name of [1-[2-(6-chloro-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-5-fluoropiperidin-3-yl] carbamate?
The IUPAC name of [1-[2-(6-chloro-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-5-fluoropiperidin-3-yl] carbamate (CID 146243577) is [1-[2-(6-chloro-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-5-fluoropiperidin-3-yl] carbamate.
What is the SMILES notation for [1-[2-(6-chloro-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-5-fluoropiperidin-3-yl] carbamate?
The canonical SMILES for [1-[2-(6-chloro-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-5-fluoropiperidin-3-yl] carbamate is Cc1cc(Cl)nnc1OC1CC(c2ccc(F)cc2)CC1N1CC(F)CC(OC(N)=O)C1.
What is the InChIKey of [1-[2-(6-chloro-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-5-fluoropiperidin-3-yl] carbamate?
The InChIKey is XIIXBJBYJGUQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClF2N4O3/c1-12-6-20(23)27-28-21(12)32-19-8-14(13-2-4-15(24)5-3-13)7-18(19)29-10-16(25)9-17(11-29)31-22(26)30/h2-6,14,16-19H,7-11H2,1H3,(H2,26,30).
What are the key properties of [1-[2-(6-chloro-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-5-fluoropiperidin-3-yl] carbamate?
[1-[2-(6-chloro-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-5-fluoropiperidin-3-yl] carbamate has a molecular weight of 466.92 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(6-chloro-4-methylpyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-5-fluoropiperidin-3-yl] carbamate is sourced from PubChem (CID 146243577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).