4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide

C25H35N9O4 — CID 121409429

About 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide

4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide (PubChem CID 121409429) has the molecular formula C25H35N9O4 and a molecular weight of 525.61 g/mol. Its IUPAC name is 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide
• PubChem CID: 121409429
• Molecular Formula: C25H35N9O4
• Molecular Weight: 525.61 g/mol
• Exact Mass: 525.28
• IUPAC Name: 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide
• SMILES: CCNC(=O)c1nc(O[C@H](C)COC)nc(N2CCC(COc3cc(-c4cn(C)cn4)cnc3N)CC2)n1
• InChI: InChI=1S/C25H35N9O4/c1-5-27-23(35)22-30-24(32-25(31-22)38-16(2)13-36-4)34-8-6-17(7-9-34)14-37-20-10-18(11-28-21(20)26)19-12-33(3)15-29-19/h10-12,15-17H,5-9,13-14H2,1-4H3,(H2,26,28)(H,27,35)/t16-/m1/s1
• InChIKey: VZVIHQSHVJMEBS-MRXNPFEDSA-N
• XLogP: 1.71
• TPSA: 155.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.61
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide?

The IUPAC name of 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide (CID 121409429) is 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide.

What is the SMILES notation for 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide?

The canonical SMILES for 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide is CCNC(=O)c1nc(O[C@H](C)COC)nc(N2CCC(COc3cc(-c4cn(C)cn4)cnc3N)CC2)n1.

What is the InChIKey of 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide?

The InChIKey is VZVIHQSHVJMEBS-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H35N9O4/c1-5-27-23(35)22-30-24(32-25(31-22)38-16(2)13-36-4)34-8-6-17(7-9-34)14-37-20-10-18(11-28-21(20)26)19-12-33(3)15-29-19/h10-12,15-17H,5-9,13-14H2,1-4H3,(H2,26,28)(H,27,35)/t16-/m1/s1.

What are the key properties of 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide?

4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide has a molecular weight of 525.61 g/mol, XLogP of 1.71, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 121409429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).