N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide

C₂₄H₃₂N₈O₂ — CID 126683869

About N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide

N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide (PubChem CID 126683869) has the molecular formula C₂₄H₃₂N₈O₂ and a molecular weight of 464.57 g/mol. Its IUPAC name is N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
• PubChem CID: 126683869
• Molecular Formula: C₂₄H₃₂N₈O₂
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.26
• IUPAC Name: N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
• SMILES: C[C@@H]1C[C@@H]1COc1nc(C(=O)NC(C)(C)C)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1
• InChI: InChI=1S/C24H32N8O2/c1-14-12-16(14)13-34-23-27-20(21(33)29-24(2,3)4)26-22(28-23)32-10-7-15(8-11-32)18-17-6-5-9-25-19(17)31-30-18/h5-6,9,14-16H,7-8,10-13H2,1-4H3,(H,29,33)(H,25,30,31)/t14-,16-/m1/s1
• InChIKey: DHIKZOCWMCRCDV-GDBMZVCRSA-N
• XLogP: 3.09
• TPSA: 121.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide?

The IUPAC name of N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide (CID 126683869) is N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide.

What is the SMILES notation for N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide?

The canonical SMILES for N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide is C[C@@H]1C[C@@H]1COc1nc(C(=O)NC(C)(C)C)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1.

What is the InChIKey of N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide?

The InChIKey is DHIKZOCWMCRCDV-GDBMZVCRSA-N. The full InChI is InChI=1S/C24H32N8O2/c1-14-12-16(14)13-34-23-27-20(21(33)29-24(2,3)4)26-22(28-23)32-10-7-15(8-11-32)18-17-6-5-9-25-19(17)31-30-18/h5-6,9,14-16H,7-8,10-13H2,1-4H3,(H,29,33)(H,25,30,31)/t14-,16-/m1/s1.

What are the key properties of N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide?

N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 126683869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 126683869 — identifiers, structure, computed properties (public domain)

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