6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxy-5-methylpyridazine-3-carbonitrile

C22H25F2N5O — CID 146240774

IUPAC6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxy-5-methylpyridazine-3-carbonitrile
SMILESCc1cc(C#N)nnc1OC1CC(c2ccc(F)cc2)CC1N1CC(N)CC(F)C1
InChIInChI=1S/C22H25F2N5O/c1-13-6-19(10-25)27-28-22(13)30-21-8-15(14-2-4-16(23)5-3-14)7-20(21)29-11-17(24)9-18(26)12-29/h2-6,15,17-18,20-21H,7-9,11-12,26H2,1H3
InChIKeyYWCKBHDCKIOOJA-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.86
Rot. Bonds4

About 6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxy-5-methylpyridazine-3-carbonitrile

6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxy-5-methylpyridazine-3-carbonitrile (PubChem CID 146240774) has the molecular formula C22H25F2N5O and a molecular weight of 413.47 g/mol. Its IUPAC name is 6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxy-5-methylpyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxy-5-methylpyridazine-3-carbonitrile
PubChem CID146240774
Molecular FormulaC22H25F2N5O
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxy-5-methylpyridazine-3-carbonitrile
SMILESCc1cc(C#N)nnc1OC1CC(c2ccc(F)cc2)CC1N1CC(N)CC(F)C1
InChIInChI=1S/C22H25F2N5O/c1-13-6-19(10-25)27-28-22(13)30-21-8-15(14-2-4-16(23)5-3-14)7-20(21)29-11-17(24)9-18(26)12-29/h2-6,15,17-18,20-21H,7-9,11-12,26H2,1H3
InChIKeyYWCKBHDCKIOOJA-UHFFFAOYSA-N
XLogP2.86
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxy-5-methylpyridazine-3-carbonitrile with MolForge

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Related Compounds

US11274091, Example 25
CID 146240802
US11274091, Example 28
CID 146240935
US11274091, Example 24
CID 146240992
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
[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
[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-[4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-yl]carbamate
CID 150513437

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxy-5-methylpyridazine-3-carbonitrile?
The IUPAC name of 6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxy-5-methylpyridazine-3-carbonitrile (CID 146240774) is 6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxy-5-methylpyridazine-3-carbonitrile.
What is the SMILES notation for 6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxy-5-methylpyridazine-3-carbonitrile?
The canonical SMILES for 6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxy-5-methylpyridazine-3-carbonitrile is Cc1cc(C#N)nnc1OC1CC(c2ccc(F)cc2)CC1N1CC(N)CC(F)C1.
What is the InChIKey of 6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxy-5-methylpyridazine-3-carbonitrile?
The InChIKey is YWCKBHDCKIOOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5O/c1-13-6-19(10-25)27-28-22(13)30-21-8-15(14-2-4-16(23)5-3-14)7-20(21)29-11-17(24)9-18(26)12-29/h2-6,15,17-18,20-21H,7-9,11-12,26H2,1H3.
What are the key properties of 6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxy-5-methylpyridazine-3-carbonitrile?
6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxy-5-methylpyridazine-3-carbonitrile has a molecular weight of 413.47 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxy-5-methylpyridazine-3-carbonitrile is sourced from PubChem (CID 146240774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).