4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(1S)-1-cyclopropylethyl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropyl-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide

C105H132F5N33O12 — CID 161213417

About 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(1S)-1-cyclopropylethyl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropyl-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide

4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(1S)-1-cyclopropylethyl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropyl-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide (PubChem CID 161213417) has the molecular formula C105H132F5N33O12 and a molecular weight of 2143.42 g/mol. Its IUPAC name is 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(1S)-1-cyclopropylethyl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropyl-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-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-[(2R)-butan-2-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(1S)-1-cyclopropylethyl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropyl-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide
• PubChem CID: 161213417
• Molecular Formula: C105H132F5N33O12
• Molecular Weight: 2143.42 g/mol
• Exact Mass: 2142.07
• IUPAC Name: 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(1S)-1-cyclopropylethyl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropyl-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide
• SMILES: C#CC1(COc2nc(C(=O)N[C@@H](C)C3CC3)nc(N3CCC(COc4cc(-c5cn(C)cn5)cnc4N)CC3)n2)CC1.C#CC1(COc2nc(C(=O)N[C@H](C)CC)nc(N3CCC(COc4cc(-c5cn(C)cn5)cnc4N)CC3)n2)CC1.CC1(F)CC1COc1nc(C(=O)NC2CC2)nc(N2CCC(COc3cncnc3N)CC2)n1.Nc1ccncc1OCC1CCN(c2nc(OCC3CC3(F)F)nc(C(=O)NCC3CC(F)(F)C3)n2)CC1
• InChI: InChI=1S/C30H37N9O3.C29H37N9O3.C24H29F4N7O3.C22H29FN8O3/c1-4-30(9-10-30)17-42-29-36-26(27(40)34-19(2)21-5-6-21)35-28(37-29)39-11-7-20(8-12-39)16-41-24-13-22(14-32-25(24)31)23-15-38(3)18-33-23;1-5-19(3)33-26(39)25-34-27(36-28(35-25)41-17-29(6-2)9-10-29)38-11-7-20(8-12-38)16-40-23-13-21(14-31-24(23)30)22-15-37(4)18-32-22;25-23(26)7-15(8-23)10-31-20(36)19-32-21(34-22(33-19)38-13-16-9-24(16,27)28)35-5-2-14(3-6-35)12-37-18-11-30-4-1-17(18)29;1-22(23)8-14(22)11-34-21-29-18(19(32)27-15-2-3-15)28-20(30-21)31-6-4-13(5-7-31)10-33-16-9-25-12-26-17(16)24/h1,13-15,18-21H,5-12,16-17H2,2-3H3,(H2,31,32)(H,34,40);2,13-15,18-20H,5,7-12,16-17H2,1,3-4H3,(H2,30,31)(H,33,39);1,4,11,14-16H,2-3,5-10,12-13H2,(H2,29,30)(H,31,36);9,12-15H,2-8,10-11H2,1H3,(H,27,32)(H2,24,25,26)/t2*19-;;/m01../s1
• InChIKey: UWNQWYRSOVMFEJ-JWMNDWSZSA-N
• XLogP: 10.24
• TPSA: 562.05 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 41
• Rotatable Bonds: 41
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2143.42
LogP ≤ 5	10.24
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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-[(2R)-butan-2-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(1S)-1-cyclopropylethyl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropyl-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-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-[(2R)-butan-2-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(1S)-1-cyclopropylethyl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropyl-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide (CID 161213417) is 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(1S)-1-cyclopropylethyl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropyl-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-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-[(2R)-butan-2-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(1S)-1-cyclopropylethyl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropyl-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-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-[(2R)-butan-2-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(1S)-1-cyclopropylethyl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropyl-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide is C#CC1(COc2nc(C(=O)N[C@@H](C)C3CC3)nc(N3CCC(COc4cc(-c5cn(C)cn5)cnc4N)CC3)n2)CC1.C#CC1(COc2nc(C(=O)N[C@H](C)CC)nc(N3CCC(COc4cc(-c5cn(C)cn5)cnc4N)CC3)n2)CC1.CC1(F)CC1COc1nc(C(=O)NC2CC2)nc(N2CCC(COc3cncnc3N)CC2)n1.Nc1ccncc1OCC1CCN(c2nc(OCC3CC3(F)F)nc(C(=O)NCC3CC(F)(F)C3)n2)CC1.

What is the InChIKey of 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(1S)-1-cyclopropylethyl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropyl-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide?

The InChIKey is UWNQWYRSOVMFEJ-JWMNDWSZSA-N. The full InChI is InChI=1S/C30H37N9O3.C29H37N9O3.C24H29F4N7O3.C22H29FN8O3/c1-4-30(9-10-30)17-42-29-36-26(27(40)34-19(2)21-5-6-21)35-28(37-29)39-11-7-20(8-12-39)16-41-24-13-22(14-32-25(24)31)23-15-38(3)18-33-23;1-5-19(3)33-26(39)25-34-27(36-28(35-25)41-17-29(6-2)9-10-29)38-11-7-20(8-12-38)16-40-23-13-21(14-31-24(23)30)22-15-37(4)18-32-22;25-23(26)7-15(8-23)10-31-20(36)19-32-21(34-22(33-19)38-13-16-9-24(16,27)28)35-5-2-14(3-6-35)12-37-18-11-30-4-1-17(18)29;1-22(23)8-14(22)11-34-21-29-18(19(32)27-15-2-3-15)28-20(30-21)31-6-4-13(5-7-31)10-33-16-9-25-12-26-17(16)24/h1,13-15,18-21H,5-12,16-17H2,2-3H3,(H2,31,32)(H,34,40);2,13-15,18-20H,5,7-12,16-17H2,1,3-4H3,(H2,30,31)(H,33,39);1,4,11,14-16H,2-3,5-10,12-13H2,(H2,29,30)(H,31,36);9,12-15H,2-8,10-11H2,1H3,(H,27,32)(H2,24,25,26)/t2*19-;;/m01../s1.

What are the key properties of 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(1S)-1-cyclopropylethyl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropyl-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide?

4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(1S)-1-cyclopropylethyl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropyl-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide has a molecular weight of 2143.42 g/mol, XLogP of 10.24, 41 rotatable bonds, 8 hydrogen bond donors, and 41 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-[(2R)-butan-2-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(1S)-1-cyclopropylethyl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropyl-6-[(2-fluoro-2-methylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 161213417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).