6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3-fluoro-3-methylazetidine-1-carbonyl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-(1-methylcyclobutyl)-1,3,5-triazine-2-carboxamide;4-[2-(1-ethynylcyclopropyl)ethyl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide

C103H120F6N34O11 — CID 161173253

About 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3-fluoro-3-methylazetidine-1-carbonyl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-(1-methylcyclobutyl)-1,3,5-triazine-2-carboxamide;4-[2-(1-ethynylcyclopropyl)ethyl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide

6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3-fluoro-3-methylazetidine-1-carbonyl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-(1-methylcyclobutyl)-1,3,5-triazine-2-carboxamide;4-[2-(1-ethynylcyclopropyl)ethyl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide (PubChem CID 161173253) has the molecular formula C103H120F6N34O11 and a molecular weight of 2124.31 g/mol. Its IUPAC name is 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3-fluoro-3-methylazetidine-1-carbonyl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-(1-methylcyclobutyl)-1,3,5-triazine-2-carboxamide;4-[2-(1-ethynylcyclopropyl)ethyl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3-fluoro-3-methylazetidine-1-carbonyl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-(1-methylcyclobutyl)-1,3,5-triazine-2-carboxamide;4-[2-(1-ethynylcyclopropyl)ethyl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide
• PubChem CID: 161173253
• Molecular Formula: C103H120F6N34O11
• Molecular Weight: 2124.31 g/mol
• Exact Mass: 2122.98
• IUPAC Name: 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3-fluoro-3-methylazetidine-1-carbonyl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-(1-methylcyclobutyl)-1,3,5-triazine-2-carboxamide;4-[2-(1-ethynylcyclopropyl)ethyl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide
• SMILES: C#CC1(CCc2nc(C(=O)N[C@@H](C)C(F)(F)F)nc(N3CCC(c4[nH]nc5nccc(OC)c45)CC3)n2)CC1.CC1(F)CN(C(=O)c2nc(OC[C@H]3C[C@H]3C#N)nc(N3CCC(c4[nH]nc5ncccc45)CC3)n2)C1.COc1ccnc2n[nH]c(C3CCN(c4nc(OC[C@H]5C[C@H]5C#N)nc(C(=O)NC5(C)CCC5)n4)CC3)c12.C[C@H](CO)NC(=O)c1cc(N2CCC(COc3cc(-c4cn(C)cn4)cnc3N)CC2)nc(OC[C@@H]2CC2(F)F)n1
• InChI: InChI=1S/C27H34F2N8O4.C26H29F3N8O2.C26H31N9O3.C24H26FN9O2/c1-16(12-38)33-25(39)20-8-23(35-26(34-20)41-14-19-9-27(19,28)29)37-5-3-17(4-6-37)13-40-22-7-18(10-31-24(22)30)21-11-36(2)15-32-21;1-4-25(10-11-25)9-5-18-32-22(23(38)31-15(2)26(27,28)29)34-24(33-18)37-13-7-16(8-14-37)20-19-17(39-3)6-12-30-21(19)36-35-20;1-26(7-3-8-26)32-23(36)22-29-24(31-25(30-22)38-14-17-12-16(17)13-27)35-10-5-15(6-11-35)20-19-18(37-2)4-9-28-21(19)34-33-20;1-24(25)12-34(13-24)21(35)20-28-22(30-23(29-20)36-11-16-9-15(16)10-26)33-7-4-14(5-8-33)18-17-3-2-6-27-19(17)32-31-18/h7-8,10-11,15-17,19,38H,3-6,9,12-14H2,1-2H3,(H2,30,31)(H,33,39);1,6,12,15-16H,5,7-11,13-14H2,2-3H3,(H,31,38)(H,30,35,36);4,9,15-17H,3,5-8,10-12,14H2,1-2H3,(H,32,36)(H,28,33,34);2-3,6,14-16H,4-5,7-9,11-13H2,1H3,(H,27,31,32)/t16-,19+;15-;16-,17+;15-,16+/m1000/s1
• InChIKey: URLUMRCUHPDVPH-JDASCRETSA-N
• XLogP: 10.85
• TPSA: 566.99 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 33
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2124.31
LogP ≤ 5	10.85
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3-fluoro-3-methylazetidine-1-carbonyl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-(1-methylcyclobutyl)-1,3,5-triazine-2-carboxamide;4-[2-(1-ethynylcyclopropyl)ethyl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide?

The IUPAC name of 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3-fluoro-3-methylazetidine-1-carbonyl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-(1-methylcyclobutyl)-1,3,5-triazine-2-carboxamide;4-[2-(1-ethynylcyclopropyl)ethyl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide (CID 161173253) is 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3-fluoro-3-methylazetidine-1-carbonyl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-(1-methylcyclobutyl)-1,3,5-triazine-2-carboxamide;4-[2-(1-ethynylcyclopropyl)ethyl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide.

What is the SMILES notation for 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3-fluoro-3-methylazetidine-1-carbonyl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-(1-methylcyclobutyl)-1,3,5-triazine-2-carboxamide;4-[2-(1-ethynylcyclopropyl)ethyl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide?

The canonical SMILES for 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3-fluoro-3-methylazetidine-1-carbonyl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-(1-methylcyclobutyl)-1,3,5-triazine-2-carboxamide;4-[2-(1-ethynylcyclopropyl)ethyl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide is C#CC1(CCc2nc(C(=O)N[C@@H](C)C(F)(F)F)nc(N3CCC(c4[nH]nc5nccc(OC)c45)CC3)n2)CC1.CC1(F)CN(C(=O)c2nc(OC[C@H]3C[C@H]3C#N)nc(N3CCC(c4[nH]nc5ncccc45)CC3)n2)C1.COc1ccnc2n[nH]c(C3CCN(c4nc(OC[C@H]5C[C@H]5C#N)nc(C(=O)NC5(C)CCC5)n4)CC3)c12.C[C@H](CO)NC(=O)c1cc(N2CCC(COc3cc(-c4cn(C)cn4)cnc3N)CC2)nc(OC[C@@H]2CC2(F)F)n1.

What is the InChIKey of 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3-fluoro-3-methylazetidine-1-carbonyl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-(1-methylcyclobutyl)-1,3,5-triazine-2-carboxamide;4-[2-(1-ethynylcyclopropyl)ethyl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide?

The InChIKey is URLUMRCUHPDVPH-JDASCRETSA-N. The full InChI is InChI=1S/C27H34F2N8O4.C26H29F3N8O2.C26H31N9O3.C24H26FN9O2/c1-16(12-38)33-25(39)20-8-23(35-26(34-20)41-14-19-9-27(19,28)29)37-5-3-17(4-6-37)13-40-22-7-18(10-31-24(22)30)21-11-36(2)15-32-21;1-4-25(10-11-25)9-5-18-32-22(23(38)31-15(2)26(27,28)29)34-24(33-18)37-13-7-16(8-14-37)20-19-17(39-3)6-12-30-21(19)36-35-20;1-26(7-3-8-26)32-23(36)22-29-24(31-25(30-22)38-14-17-12-16(17)13-27)35-10-5-15(6-11-35)20-19-18(37-2)4-9-28-21(19)34-33-20;1-24(25)12-34(13-24)21(35)20-28-22(30-23(29-20)36-11-16-9-15(16)10-26)33-7-4-14(5-8-33)18-17-3-2-6-27-19(17)32-31-18/h7-8,10-11,15-17,19,38H,3-6,9,12-14H2,1-2H3,(H2,30,31)(H,33,39);1,6,12,15-16H,5,7-11,13-14H2,2-3H3,(H,31,38)(H,30,35,36);4,9,15-17H,3,5-8,10-12,14H2,1-2H3,(H,32,36)(H,28,33,34);2-3,6,14-16H,4-5,7-9,11-13H2,1H3,(H,27,31,32)/t16-,19+;15-;16-,17+;15-,16+/m1000/s1.

What are the key properties of 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3-fluoro-3-methylazetidine-1-carbonyl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-(1-methylcyclobutyl)-1,3,5-triazine-2-carboxamide;4-[2-(1-ethynylcyclopropyl)ethyl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide?

6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3-fluoro-3-methylazetidine-1-carbonyl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-(1-methylcyclobutyl)-1,3,5-triazine-2-carboxamide;4-[2-(1-ethynylcyclopropyl)ethyl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide has a molecular weight of 2124.31 g/mol, XLogP of 10.85, 33 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3-fluoro-3-methylazetidine-1-carbonyl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-(1-methylcyclobutyl)-1,3,5-triazine-2-carboxamide;4-[2-(1-ethynylcyclopropyl)ethyl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 161173253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).