tert-butyl 4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-3,5-difluoro-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate

C25H37F2N5O2 — CID 175405631

About tert-butyl 4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-3,5-difluoro-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate

tert-butyl 4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-3,5-difluoro-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate (PubChem CID 175405631) has the molecular formula C25H37F2N5O2 and a molecular weight of 477.60 g/mol. Its IUPAC name is tert-butyl 4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-3,5-difluoro-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-3,5-difluoro-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate
• PubChem CID: 175405631
• Molecular Formula: C25H37F2N5O2
• Molecular Weight: 477.60 g/mol
• Exact Mass: 477.29
• IUPAC Name: tert-butyl 4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-3,5-difluoro-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate
• SMILES: Cc1cc(Nc2nc(CC3(C(=O)OC(C)(C)C)CCNC(C)C3)c(F)cc2F)nn1C(C)(C)C
• InChI: InChI=1S/C25H37F2N5O2/c1-15-13-25(9-10-28-15,22(33)34-24(6,7)8)14-19-17(26)12-18(27)21(29-19)30-20-11-16(2)32(31-20)23(3,4)5/h11-12,15,28H,9-10,13-14H2,1-8H3,(H,29,30,31)
• InChIKey: HNOOYDLRTHJJKH-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 81.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.60
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-3,5-difluoro-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate?

The IUPAC name of tert-butyl 4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-3,5-difluoro-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate (CID 175405631) is tert-butyl 4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-3,5-difluoro-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate.

What is the SMILES notation for tert-butyl 4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-3,5-difluoro-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate?

The canonical SMILES for tert-butyl 4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-3,5-difluoro-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate is Cc1cc(Nc2nc(CC3(C(=O)OC(C)(C)C)CCNC(C)C3)c(F)cc2F)nn1C(C)(C)C.

What is the InChIKey of tert-butyl 4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-3,5-difluoro-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate?

The InChIKey is HNOOYDLRTHJJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37F2N5O2/c1-15-13-25(9-10-28-15,22(33)34-24(6,7)8)14-19-17(26)12-18(27)21(29-19)30-20-11-16(2)32(31-20)23(3,4)5/h11-12,15,28H,9-10,13-14H2,1-8H3,(H,29,30,31).

What are the key properties of tert-butyl 4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-3,5-difluoro-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate?

tert-butyl 4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-3,5-difluoro-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate has a molecular weight of 477.60 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-3,5-difluoro-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate is sourced from PubChem (CID 175405631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).