(2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;(1-isocyanocyclopropyl)-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]pyrazol-1-yl]methanone;(2R,3R)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile

C89H82F10N32O4 — CID 158026952

About (2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;(1-isocyanocyclopropyl)-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]pyrazol-1-yl]methanone;(2R,3R)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile

(2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;(1-isocyanocyclopropyl)-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]pyrazol-1-yl]methanone;(2R,3R)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile (PubChem CID 158026952) has the molecular formula C89H82F10N32O4 and a molecular weight of 1853.83 g/mol. Its IUPAC name is (2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;(1-isocyanocyclopropyl)-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]pyrazol-1-yl]methanone;(2R,3R)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile.

Molecular Properties

• Compound Name: (2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;(1-isocyanocyclopropyl)-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]pyrazol-1-yl]methanone;(2R,3R)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile
• PubChem CID: 158026952
• Molecular Formula: C89H82F10N32O4
• Molecular Weight: 1853.83 g/mol
• Exact Mass: 1852.70
• IUPAC Name: (2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;(1-isocyanocyclopropyl)-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]pyrazol-1-yl]methanone;(2R,3R)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile
• SMILES: C[C@@H]1[C@H](C(N)=O)NCCN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1.Cc1[nH]ncc1[C@@H]1CN(c2ccnc(-c3cnc4cc(F)c(C5CC5)cn34)n2)C[C@H](C)O1.N#CC1(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)CC1.[C-]#[N+]C1(C(=O)n2cc([C@@H]3CN(c4ccnc(-c5cnc6ccc(C(F)(F)F)cn56)n4)CCN3)cn2)CC1
• InChI: InChI=1S/2C24H20F3N9O.C23H24FN7O.C18H18F3N7O/c1-28-23(5-6-23)22(37)36-12-15(10-32-36)17-14-34(9-8-29-17)20-4-7-30-21(33-20)18-11-31-19-3-2-16(13-35(18)19)24(25,26)27;25-24(26,27)16-1-2-19-30-11-17(36(19)12-16)21-29-6-3-20(33-21)34-7-8-35(22(37)23(14-28)4-5-23)18(13-34)15-9-31-32-10-15;1-13-10-30(12-20(32-13)16-8-27-29-14(16)2)21-5-6-25-23(28-21)19-9-26-22-7-18(24)17(11-31(19)22)15-3-4-15;1-10-15(16(22)29)23-6-7-27(10)14-4-5-24-17(26-14)12-8-25-13-3-2-11(9-28(12)13)18(19,20)21/h2-4,7,10-13,17,29H,5-6,8-9,14H2;1-3,6,9-12,18H,4-5,7-8,13H2,(H,31,32);5-9,11,13,15,20H,3-4,10,12H2,1-2H3,(H,27,29);2-5,8-10,15,23H,6-7H2,1H3,(H2,22,29)/t17-;;13-,20-;10-,15-/m0.01/s1
• InChIKey: FGSGMIAEXSRLBW-SZIACSOZSA-N
• XLogP: 11.74
• TPSA: 402.37 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 15
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1853.83
LogP ≤ 5	11.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;(1-isocyanocyclopropyl)-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]pyrazol-1-yl]methanone;(2R,3R)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile?

The IUPAC name of (2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;(1-isocyanocyclopropyl)-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]pyrazol-1-yl]methanone;(2R,3R)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile (CID 158026952) is (2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;(1-isocyanocyclopropyl)-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]pyrazol-1-yl]methanone;(2R,3R)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile.

What is the SMILES notation for (2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;(1-isocyanocyclopropyl)-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]pyrazol-1-yl]methanone;(2R,3R)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile?

The canonical SMILES for (2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;(1-isocyanocyclopropyl)-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]pyrazol-1-yl]methanone;(2R,3R)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile is C[C@@H]1[C@H](C(N)=O)NCCN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1.Cc1[nH]ncc1[C@@H]1CN(c2ccnc(-c3cnc4cc(F)c(C5CC5)cn34)n2)C[C@H](C)O1.N#CC1(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)CC1.[C-]#[N+]C1(C(=O)n2cc([C@@H]3CN(c4ccnc(-c5cnc6ccc(C(F)(F)F)cn56)n4)CCN3)cn2)CC1.

What is the InChIKey of (2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;(1-isocyanocyclopropyl)-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]pyrazol-1-yl]methanone;(2R,3R)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile?

The InChIKey is FGSGMIAEXSRLBW-SZIACSOZSA-N. The full InChI is InChI=1S/2C24H20F3N9O.C23H24FN7O.C18H18F3N7O/c1-28-23(5-6-23)22(37)36-12-15(10-32-36)17-14-34(9-8-29-17)20-4-7-30-21(33-20)18-11-31-19-3-2-16(13-35(18)19)24(25,26)27;25-24(26,27)16-1-2-19-30-11-17(36(19)12-16)21-29-6-3-20(33-21)34-7-8-35(22(37)23(14-28)4-5-23)18(13-34)15-9-31-32-10-15;1-13-10-30(12-20(32-13)16-8-27-29-14(16)2)21-5-6-25-23(28-21)19-9-26-22-7-18(24)17(11-31(19)22)15-3-4-15;1-10-15(16(22)29)23-6-7-27(10)14-4-5-24-17(26-14)12-8-25-13-3-2-11(9-28(12)13)18(19,20)21/h2-4,7,10-13,17,29H,5-6,8-9,14H2;1-3,6,9-12,18H,4-5,7-8,13H2,(H,31,32);5-9,11,13,15,20H,3-4,10,12H2,1-2H3,(H,27,29);2-5,8-10,15,23H,6-7H2,1H3,(H2,22,29)/t17-;;13-,20-;10-,15-/m0.01/s1.

What are the key properties of (2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;(1-isocyanocyclopropyl)-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]pyrazol-1-yl]methanone;(2R,3R)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile?

(2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;(1-isocyanocyclopropyl)-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]pyrazol-1-yl]methanone;(2R,3R)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile has a molecular weight of 1853.83 g/mol, XLogP of 11.74, 15 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;(1-isocyanocyclopropyl)-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]pyrazol-1-yl]methanone;(2R,3R)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 158026952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).