tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[5-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-3-pyridinyl]methyl]-3,3-difluoropiperidine-1-carboxylate;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]benzamide

C137H153F15N26O9 — CID 161361485

About tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[5-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-3-pyridinyl]methyl]-3,3-difluoropiperidine-1-carboxylate;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]benzamide

tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[5-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-3-pyridinyl]methyl]-3,3-difluoropiperidine-1-carboxylate;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]benzamide (PubChem CID 161361485) has the molecular formula C137H153F15N26O9 and a molecular weight of 2592.87 g/mol. Its IUPAC name is tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[5-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-3-pyridinyl]methyl]-3,3-difluoropiperidine-1-carboxylate;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]benzamide.

Molecular Properties

• Compound Name: tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[5-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-3-pyridinyl]methyl]-3,3-difluoropiperidine-1-carboxylate;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]benzamide
• PubChem CID: 161361485
• Molecular Formula: C137H153F15N26O9
• Molecular Weight: 2592.87 g/mol
• Exact Mass: 2591.21
• IUPAC Name: tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[5-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-3-pyridinyl]methyl]-3,3-difluoropiperidine-1-carboxylate;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]benzamide
• SMILES: CC(C)(C)OC(=O)N1CCC(N)C(F)(F)C1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(CC3CCN(C(=O)OC(C)(C)C)CC3(F)F)c2)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(CC3CCNCC3(F)F)c2)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(C[C@@H]3CCN(C)CC3(F)F)c2)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(C[C@H]3CCN(C)CC3(F)F)c2)c1.Cc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3C)cn2)c1
• InChI: InChI=1S/C30H34F3N5O3.2C26H28F3N5O.C25H26F3N5O.C20H19FN4O.C10H18F2N2O2/c1-18-9-26(31)25(27(39)36-22-5-6-22)12-24(18)20-14-35-38(16-20)23-11-19(13-34-15-23)10-21-7-8-37(17-30(21,32)33)28(40)41-29(2,3)4;2*1-16-7-24(27)23(25(35)32-20-3-4-20)10-22(16)18-12-31-34(14-18)21-9-17(11-30-13-21)8-19-5-6-33(2)15-26(19,28)29;1-15-6-23(26)22(24(34)32-19-2-3-19)9-21(15)17-11-31-33(13-17)20-8-16(10-30-12-20)7-18-4-5-29-14-25(18,27)28;1-12-5-16(10-22-8-12)25-11-14(9-23-25)17-7-18(19(21)6-13(17)2)20(26)24-15-3-4-15;1-9(2,3)16-8(15)14-5-4-7(13)10(11,12)6-14/h9,11-16,21-22H,5-8,10,17H2,1-4H3,(H,36,39);2*7,9-14,19-20H,3-6,8,15H2,1-2H3,(H,32,35);6,8-13,18-19,29H,2-5,7,14H2,1H3,(H,32,34);5-11,15H,3-4H2,1-2H3,(H,24,26);7H,4-6,13H2,1-3H3/t;2*19-;;;/m.10.../s1
• InChIKey: VPFSTRGYHNTAFE-PMUYWILYSA-N
• XLogP: 23.75
• TPSA: 402.66 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2592.87
LogP ≤ 5	23.75
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[5-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-3-pyridinyl]methyl]-3,3-difluoropiperidine-1-carboxylate;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]benzamide?

The IUPAC name of tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[5-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-3-pyridinyl]methyl]-3,3-difluoropiperidine-1-carboxylate;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]benzamide (CID 161361485) is tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[5-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-3-pyridinyl]methyl]-3,3-difluoropiperidine-1-carboxylate;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]benzamide.

What is the SMILES notation for tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[5-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-3-pyridinyl]methyl]-3,3-difluoropiperidine-1-carboxylate;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]benzamide?

The canonical SMILES for tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[5-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-3-pyridinyl]methyl]-3,3-difluoropiperidine-1-carboxylate;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]benzamide is CC(C)(C)OC(=O)N1CCC(N)C(F)(F)C1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(CC3CCN(C(=O)OC(C)(C)C)CC3(F)F)c2)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(CC3CCNCC3(F)F)c2)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(C[C@@H]3CCN(C)CC3(F)F)c2)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(C[C@H]3CCN(C)CC3(F)F)c2)c1.Cc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3C)cn2)c1.

What is the InChIKey of tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[5-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-3-pyridinyl]methyl]-3,3-difluoropiperidine-1-carboxylate;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]benzamide?

The InChIKey is VPFSTRGYHNTAFE-PMUYWILYSA-N. The full InChI is InChI=1S/C30H34F3N5O3.2C26H28F3N5O.C25H26F3N5O.C20H19FN4O.C10H18F2N2O2/c1-18-9-26(31)25(27(39)36-22-5-6-22)12-24(18)20-14-35-38(16-20)23-11-19(13-34-15-23)10-21-7-8-37(17-30(21,32)33)28(40)41-29(2,3)4;2*1-16-7-24(27)23(25(35)32-20-3-4-20)10-22(16)18-12-31-34(14-18)21-9-17(11-30-13-21)8-19-5-6-33(2)15-26(19,28)29;1-15-6-23(26)22(24(34)32-19-2-3-19)9-21(15)17-11-31-33(13-17)20-8-16(10-30-12-20)7-18-4-5-29-14-25(18,27)28;1-12-5-16(10-22-8-12)25-11-14(9-23-25)17-7-18(19(21)6-13(17)2)20(26)24-15-3-4-15;1-9(2,3)16-8(15)14-5-4-7(13)10(11,12)6-14/h9,11-16,21-22H,5-8,10,17H2,1-4H3,(H,36,39);2*7,9-14,19-20H,3-6,8,15H2,1-2H3,(H,32,35);6,8-13,18-19,29H,2-5,7,14H2,1H3,(H,32,34);5-11,15H,3-4H2,1-2H3,(H,24,26);7H,4-6,13H2,1-3H3/t;2*19-;;;/m.10.../s1.

What are the key properties of tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[5-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-3-pyridinyl]methyl]-3,3-difluoropiperidine-1-carboxylate;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]benzamide?

tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[5-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-3-pyridinyl]methyl]-3,3-difluoropiperidine-1-carboxylate;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]benzamide has a molecular weight of 2592.87 g/mol, XLogP of 23.75, 28 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate;tert-butyl 4-[[5-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-3-pyridinyl]methyl]-3,3-difluoropiperidine-1-carboxylate;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 161361485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).