3-[4-[3-(5-cyclopropyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C99H95F15N42O2 — CID 158415726

About 3-[4-[3-(5-cyclopropyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

3-[4-[3-(5-cyclopropyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 158415726) has the molecular formula C99H95F15N42O2 and a molecular weight of 2190.11 g/mol. Its IUPAC name is 3-[4-[3-(5-cyclopropyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

• Compound Name: 3-[4-[3-(5-cyclopropyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• PubChem CID: 158415726
• Molecular Formula: C99H95F15N42O2
• Molecular Weight: 2190.11 g/mol
• Exact Mass: 2188.84
• IUPAC Name: 3-[4-[3-(5-cyclopropyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• SMILES: CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(c2cn[nH]c2)N1.CN1CC2(CCN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C2)OC1=O.CNc1cc(N2CC(C)NC(c3cn[nH]c3)C2C)nc(-c2cnc3cnc(C(F)(F)F)cn23)n1.Cc1[nH]ncc1C1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.FC(F)(F)c1cn2c(-c3nccc(N4CCC(c5cn[nH]c5C5CC5)C4)n3)cnc2cn1
• InChI: InChI=1S/C21H23F3N10.C21H19F3N8.C20H20F3N9.C19H17F3N8.C18H16F3N7O2/c1-11-9-33(12(2)19(30-11)13-5-28-29-6-13)17-4-16(25-3)31-20(32-17)14-7-27-18-8-26-15(10-34(14)18)21(22,23)24;22-21(23,24)16-11-32-15(8-27-18(32)9-26-16)20-25-5-3-17(29-20)31-6-4-13(10-31)14-7-28-30-19(14)12-1-2-12;1-11-9-31(12(2)18(29-11)13-5-27-28-6-13)16-3-4-24-19(30-16)14-7-26-17-8-25-15(10-32(14)17)20(21,22)23;1-11-13(6-26-28-11)12-3-5-29(9-12)16-2-4-23-18(27-16)14-7-25-17-8-24-15(10-30(14)17)19(20,21)22;1-26-9-17(30-16(26)29)3-5-27(10-17)13-2-4-22-15(25-13)11-6-24-14-7-23-12(8-28(11)14)18(19,20)21/h4-8,10-12,19,30H,9H2,1-3H3,(H,28,29)(H,25,31,32);3,5,7-9,11-13H,1-2,4,6,10H2,(H,28,30);3-8,10-12,18,29H,9H2,1-2H3,(H,27,28);2,4,6-8,10,12H,3,5,9H2,1H3,(H,26,28);2,4,6-8H,3,5,9-10H2,1H3
• InChIKey: GZWHYYWUCNZMGZ-UHFFFAOYSA-N
• XLogP: 15.02
• TPSA: 476.40 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 39
• Rotatable Bonds: 16
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2190.11
LogP ≤ 5	15.02
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(5-cyclopropyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?

The IUPAC name of 3-[4-[3-(5-cyclopropyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 158415726) is 3-[4-[3-(5-cyclopropyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

What is the SMILES notation for 3-[4-[3-(5-cyclopropyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?

The canonical SMILES for 3-[4-[3-(5-cyclopropyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(c2cn[nH]c2)N1.CN1CC2(CCN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C2)OC1=O.CNc1cc(N2CC(C)NC(c3cn[nH]c3)C2C)nc(-c2cnc3cnc(C(F)(F)F)cn23)n1.Cc1[nH]ncc1C1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.FC(F)(F)c1cn2c(-c3nccc(N4CCC(c5cn[nH]c5C5CC5)C4)n3)cnc2cn1.

What is the InChIKey of 3-[4-[3-(5-cyclopropyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?

The InChIKey is GZWHYYWUCNZMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N10.C21H19F3N8.C20H20F3N9.C19H17F3N8.C18H16F3N7O2/c1-11-9-33(12(2)19(30-11)13-5-28-29-6-13)17-4-16(25-3)31-20(32-17)14-7-27-18-8-26-15(10-34(14)18)21(22,23)24;22-21(23,24)16-11-32-15(8-27-18(32)9-26-16)20-25-5-3-17(29-20)31-6-4-13(10-31)14-7-28-30-19(14)12-1-2-12;1-11-9-31(12(2)18(29-11)13-5-27-28-6-13)16-3-4-24-19(30-16)14-7-26-17-8-25-15(10-32(14)17)20(21,22)23;1-11-13(6-26-28-11)12-3-5-29(9-12)16-2-4-23-18(27-16)14-7-25-17-8-24-15(10-30(14)17)19(20,21)22;1-26-9-17(30-16(26)29)3-5-27(10-17)13-2-4-22-15(25-13)11-6-24-14-7-23-12(8-28(11)14)18(19,20)21/h4-8,10-12,19,30H,9H2,1-3H3,(H,28,29)(H,25,31,32);3,5,7-9,11-13H,1-2,4,6,10H2,(H,28,30);3-8,10-12,18,29H,9H2,1-2H3,(H,27,28);2,4,6-8,10,12H,3,5,9H2,1H3,(H,26,28);2,4,6-8H,3,5,9-10H2,1H3.

What are the key properties of 3-[4-[3-(5-cyclopropyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?

3-[4-[3-(5-cyclopropyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 2190.11 g/mol, XLogP of 15.02, 16 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[3-(5-cyclopropyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 158415726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).