2-[[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile

C22H26F2N6O — CID 122193946

IUPAC2-[[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)n(C3CCC(F)(F)C3)n2)c1
InChIInChI=1S/C22H26F2N6O/c23-22(24)5-1-17(11-22)30-19(16-3-7-29(8-4-16)18-13-31-14-18)10-21(28-30)27-20-9-15(12-25)2-6-26-20/h2,6,9-10,16-18H,1,3-5,7-8,11,13-14H2,(H,26,27,28)
InChIKeyYRPUWZXFERSRBH-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.83
Rot. Bonds5

About 2-[[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile

2-[[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile (PubChem CID 122193946) has the molecular formula C22H26F2N6O and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-[[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile
PubChem CID122193946
Molecular FormulaC22H26F2N6O
Molecular Weight428.49 g/mol
Exact Mass428.21
IUPAC Name2-[[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)n(C3CCC(F)(F)C3)n2)c1
InChIInChI=1S/C22H26F2N6O/c23-22(24)5-1-17(11-22)30-19(16-3-7-29(8-4-16)18-13-31-14-18)10-21(28-30)27-20-9-15(12-25)2-6-26-20/h2,6,9-10,16-18H,1,3-5,7-8,11,13-14H2,(H,26,27,28)
InChIKeyYRPUWZXFERSRBH-UHFFFAOYSA-N
XLogP3.83
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile (CID 122193946) is 2-[[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile is N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)n(C3CCC(F)(F)C3)n2)c1.
What is the InChIKey of 2-[[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile?
The InChIKey is YRPUWZXFERSRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N6O/c23-22(24)5-1-17(11-22)30-19(16-3-7-29(8-4-16)18-13-31-14-18)10-21(28-30)27-20-9-15(12-25)2-6-26-20/h2,6,9-10,16-18H,1,3-5,7-8,11,13-14H2,(H,26,27,28).
What are the key properties of 2-[[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile?
2-[[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile has a molecular weight of 428.49 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 122193946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).