N-[1-[5-(4,4-difluoropiperidin-1-yl)indazol-1-yl]propan-2-yl]-2,2-difluoropropanamide;ethane;1-pyridin-2-ylcyclopropane-1-carbonitrile

C29H36F4N6O — CID 178045338

About N-[1-[5-(4,4-difluoropiperidin-1-yl)indazol-1-yl]propan-2-yl]-2,2-difluoropropanamide;ethane;1-pyridin-2-ylcyclopropane-1-carbonitrile

N-[1-[5-(4,4-difluoropiperidin-1-yl)indazol-1-yl]propan-2-yl]-2,2-difluoropropanamide;ethane;1-pyridin-2-ylcyclopropane-1-carbonitrile (PubChem CID 178045338) has the molecular formula C29H36F4N6O and a molecular weight of 560.64 g/mol. Its IUPAC name is N-[1-[5-(4,4-difluoropiperidin-1-yl)indazol-1-yl]propan-2-yl]-2,2-difluoropropanamide;ethane;1-pyridin-2-ylcyclopropane-1-carbonitrile.

Molecular Properties

• Compound Name: N-[1-[5-(4,4-difluoropiperidin-1-yl)indazol-1-yl]propan-2-yl]-2,2-difluoropropanamide;ethane;1-pyridin-2-ylcyclopropane-1-carbonitrile
• PubChem CID: 178045338
• Molecular Formula: C29H36F4N6O
• Molecular Weight: 560.64 g/mol
• Exact Mass: 560.29
• IUPAC Name: N-[1-[5-(4,4-difluoropiperidin-1-yl)indazol-1-yl]propan-2-yl]-2,2-difluoropropanamide;ethane;1-pyridin-2-ylcyclopropane-1-carbonitrile
• SMILES: CC.CC(Cn1ncc2cc(N3CCC(F)(F)CC3)ccc21)NC(=O)C(C)(F)F.N#CC1(c2ccccn2)CC1
• InChI: InChI=1S/C18H22F4N4O.C9H8N2.C2H6/c1-12(24-16(27)17(2,19)20)11-26-15-4-3-14(9-13(15)10-23-26)25-7-5-18(21,22)6-8-25;10-7-9(4-5-9)8-3-1-2-6-11-8;1-2/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,24,27);1-3,6H,4-5H2;1-2H3
• InChIKey: UKVOGONLLKGZMW-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 86.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.64
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4,4-difluoropiperidin-1-yl)indazol-1-yl]propan-2-yl]-2,2-difluoropropanamide;ethane;1-pyridin-2-ylcyclopropane-1-carbonitrile?

The IUPAC name of N-[1-[5-(4,4-difluoropiperidin-1-yl)indazol-1-yl]propan-2-yl]-2,2-difluoropropanamide;ethane;1-pyridin-2-ylcyclopropane-1-carbonitrile (CID 178045338) is N-[1-[5-(4,4-difluoropiperidin-1-yl)indazol-1-yl]propan-2-yl]-2,2-difluoropropanamide;ethane;1-pyridin-2-ylcyclopropane-1-carbonitrile.

What is the SMILES notation for N-[1-[5-(4,4-difluoropiperidin-1-yl)indazol-1-yl]propan-2-yl]-2,2-difluoropropanamide;ethane;1-pyridin-2-ylcyclopropane-1-carbonitrile?

The canonical SMILES for N-[1-[5-(4,4-difluoropiperidin-1-yl)indazol-1-yl]propan-2-yl]-2,2-difluoropropanamide;ethane;1-pyridin-2-ylcyclopropane-1-carbonitrile is CC.CC(Cn1ncc2cc(N3CCC(F)(F)CC3)ccc21)NC(=O)C(C)(F)F.N#CC1(c2ccccn2)CC1.

What is the InChIKey of N-[1-[5-(4,4-difluoropiperidin-1-yl)indazol-1-yl]propan-2-yl]-2,2-difluoropropanamide;ethane;1-pyridin-2-ylcyclopropane-1-carbonitrile?

The InChIKey is UKVOGONLLKGZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F4N4O.C9H8N2.C2H6/c1-12(24-16(27)17(2,19)20)11-26-15-4-3-14(9-13(15)10-23-26)25-7-5-18(21,22)6-8-25;10-7-9(4-5-9)8-3-1-2-6-11-8;1-2/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,24,27);1-3,6H,4-5H2;1-2H3.

What are the key properties of N-[1-[5-(4,4-difluoropiperidin-1-yl)indazol-1-yl]propan-2-yl]-2,2-difluoropropanamide;ethane;1-pyridin-2-ylcyclopropane-1-carbonitrile?

N-[1-[5-(4,4-difluoropiperidin-1-yl)indazol-1-yl]propan-2-yl]-2,2-difluoropropanamide;ethane;1-pyridin-2-ylcyclopropane-1-carbonitrile has a molecular weight of 560.64 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-(4,4-difluoropiperidin-1-yl)indazol-1-yl]propan-2-yl]-2,2-difluoropropanamide;ethane;1-pyridin-2-ylcyclopropane-1-carbonitrile is sourced from PubChem (CID 178045338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).