2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile;3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine;ethane

C43H58ClF2N11O2 — CID 144669890

About 2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile;3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine;ethane

2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile;3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine;ethane (PubChem CID 144669890) has the molecular formula C43H58ClF2N11O2 and a molecular weight of 834.46 g/mol. Its IUPAC name is 2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile;3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine;ethane.

Molecular Properties

• Compound Name: 2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile;3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine;ethane
• PubChem CID: 144669890
• Molecular Formula: C43H58ClF2N11O2
• Molecular Weight: 834.46 g/mol
• Exact Mass: 833.44
• IUPAC Name: 2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile;3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine;ethane
• SMILES: CC.CC(C)n1nc(-c2cnc(N)c(C#N)c2)cc1C1CCN(C2COC2)CC1.Nc1ncc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCC(F)(F)C3)n2)cc1Cl
• InChI: InChI=1S/C21H26ClF2N5O.C20H26N6O.C2H6/c22-17-7-14(10-26-20(17)25)18-8-19(29(27-18)15-1-4-21(23,24)9-15)13-2-5-28(6-3-13)16-11-30-12-16;1-13(2)26-19(14-3-5-25(6-4-14)17-11-27-12-17)8-18(24-26)16-7-15(9-21)20(22)23-10-16;1-2/h7-8,10,13,15-16H,1-6,9,11-12H2,(H2,25,26);7-8,10,13-14,17H,3-6,11-12H2,1-2H3,(H2,22,23);1-2H3
• InChIKey: ZPTBZVXRMVVDFX-UHFFFAOYSA-N
• XLogP: 7.70
• TPSA: 162.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	834.46
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile;3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine;ethane?

The IUPAC name of 2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile;3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine;ethane (CID 144669890) is 2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile;3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine;ethane.

What is the SMILES notation for 2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile;3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine;ethane?

The canonical SMILES for 2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile;3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine;ethane is CC.CC(C)n1nc(-c2cnc(N)c(C#N)c2)cc1C1CCN(C2COC2)CC1.Nc1ncc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCC(F)(F)C3)n2)cc1Cl.

What is the InChIKey of 2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile;3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine;ethane?

The InChIKey is ZPTBZVXRMVVDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClF2N5O.C20H26N6O.C2H6/c22-17-7-14(10-26-20(17)25)18-8-19(29(27-18)15-1-4-21(23,24)9-15)13-2-5-28(6-3-13)16-11-30-12-16;1-13(2)26-19(14-3-5-25(6-4-14)17-11-27-12-17)8-18(24-26)16-7-15(9-21)20(22)23-10-16;1-2/h7-8,10,13,15-16H,1-6,9,11-12H2,(H2,25,26);7-8,10,13-14,17H,3-6,11-12H2,1-2H3,(H2,22,23);1-2H3.

What are the key properties of 2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile;3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine;ethane?

2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile;3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine;ethane has a molecular weight of 834.46 g/mol, XLogP of 7.70, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile;3-chloro-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine;ethane is sourced from PubChem (CID 144669890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).