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

C21H23F2N5O — CID 146240992

IUPAC6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxypyridazine-3-carbonitrile
SMILESN#Cc1ccc(OC2CC(c3ccc(F)cc3)CC2N2CC(N)CC(F)C2)nn1
InChIInChI=1S/C21H23F2N5O/c22-15-3-1-13(2-4-15)14-7-19(28-11-16(23)9-17(25)12-28)20(8-14)29-21-6-5-18(10-24)26-27-21/h1-6,14,16-17,19-20H,7-9,11-12,25H2
InChIKeyDDJMNVFEYDZSQW-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.55
Rot. Bonds4

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

6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxypyridazine-3-carbonitrile (PubChem CID 146240992) has the molecular formula C21H23F2N5O and a molecular weight of 399.45 g/mol. Its IUPAC name is 6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxypyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxypyridazine-3-carbonitrile
PubChem CID146240992
Molecular FormulaC21H23F2N5O
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxypyridazine-3-carbonitrile
SMILESN#Cc1ccc(OC2CC(c3ccc(F)cc3)CC2N2CC(N)CC(F)C2)nn1
InChIInChI=1S/C21H23F2N5O/c22-15-3-1-13(2-4-15)14-7-19(28-11-16(23)9-17(25)12-28)20(8-14)29-21-6-5-18(10-24)26-27-21/h1-6,14,16-17,19-20H,7-9,11-12,25H2
InChIKeyDDJMNVFEYDZSQW-UHFFFAOYSA-N
XLogP2.55
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxypyridazine-3-carbonitrile 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
[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
tert-butyl N-[(3R)-1-[4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-yl]carbamate
CID 150513437
tert-butyl N-[(3R,5R)-1-[2-(6-cyanopyridazin-3-yl)oxy-4-(4-fluorophenyl)cyclopentyl]-5-fluoropiperidin-3-yl]carbamate
CID 151400124

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxypyridazine-3-carbonitrile?
The IUPAC name of 6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxypyridazine-3-carbonitrile (CID 146240992) is 6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxypyridazine-3-carbonitrile.
What is the SMILES notation for 6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxypyridazine-3-carbonitrile?
The canonical SMILES for 6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxypyridazine-3-carbonitrile is N#Cc1ccc(OC2CC(c3ccc(F)cc3)CC2N2CC(N)CC(F)C2)nn1.
What is the InChIKey of 6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxypyridazine-3-carbonitrile?
The InChIKey is DDJMNVFEYDZSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O/c22-15-3-1-13(2-4-15)14-7-19(28-11-16(23)9-17(25)12-28)20(8-14)29-21-6-5-18(10-24)26-27-21/h1-6,14,16-17,19-20H,7-9,11-12,25H2.
What are the key properties of 6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxypyridazine-3-carbonitrile?
6-[2-(3-amino-5-fluoropiperidin-1-yl)-4-(4-fluorophenyl)cyclopentyl]oxypyridazine-3-carbonitrile has a molecular weight of 399.45 g/mol, XLogP of 2.55, 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]oxypyridazine-3-carbonitrile is sourced from PubChem (CID 146240992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).