bis(3-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-amine

C96H93F15N40O3 — CID 159201864

IUPACbis(3-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-amine
SMILESCc1n[nH]c(C)c1C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.Cc1n[nH]c(C)c1C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.Nc1cnn(C2CCN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C2)c1.O=C(NCCO)C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.O=C1NCC2CN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)CCN12
InChIInChI=1S/2C21H21F3N8.C19H20F3N7O2.C18H16F3N9.C17H15F3N8O/c2*1-12-19(13(2)30-29-12)14-4-3-7-31(10-14)17-5-6-25-20(28-17)15-8-27-18-9-26-16(11-32(15)18)21(22,23)24;20-19(21,22)14-11-29-13(8-26-16(29)9-25-14)17-23-4-3-15(27-17)28-6-1-2-12(10-28)18(31)24-5-7-30;19-18(20,21)14-10-29-13(6-25-16(29)7-24-14)17-23-3-1-15(27-17)28-4-2-12(9-28)30-8-11(22)5-26-30;18-17(19,20)12-9-28-11(6-23-14(28)7-22-12)15-21-2-1-13(25-15)26-3-4-27-10(8-26)5-24-16(27)29/h2*5-6,8-9,11,14H,3-4,7,10H2,1-2H3,(H,29,30);3-4,8-9,11-12,30H,1-2,5-7,10H2,(H,24,31);1,3,5-8,10,12H,2,4,9,22H2;1-2,6-7,9-10H,3-5,8H2,(H,24,29)
InChIKeyKPJVBUHFKBIFBL-UHFFFAOYSA-N
MW2140.05 g/mol
LogP13.24
Rot. Bonds16

About bis(3-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-amine

bis(3-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-amine (PubChem CID 159201864) has the molecular formula C96H93F15N40O3 and a molecular weight of 2140.05 g/mol. Its IUPAC name is bis(3-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-amine.

Molecular Properties

Compound Namebis(3-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-amine
PubChem CID159201864
Molecular FormulaC96H93F15N40O3
Molecular Weight2140.05 g/mol
Exact Mass2138.81
IUPAC Namebis(3-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-amine
SMILESCc1n[nH]c(C)c1C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.Cc1n[nH]c(C)c1C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.Nc1cnn(C2CCN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C2)c1.O=C(NCCO)C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.O=C1NCC2CN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)CCN12
InChIInChI=1S/2C21H21F3N8.C19H20F3N7O2.C18H16F3N9.C17H15F3N8O/c2*1-12-19(13(2)30-29-12)14-4-3-7-31(10-14)17-5-6-25-20(28-17)15-8-27-18-9-26-16(11-32(15)18)21(22,23)24;20-19(21,22)14-11-29-13(8-26-16(29)9-25-14)17-23-4-3-15(27-17)28-6-1-2-12(10-28)18(31)24-5-7-30;19-18(20,21)14-10-29-13(6-25-16(29)7-24-14)17-23-3-1-15(27-17)28-4-2-12(9-28)30-8-11(22)5-26-30;18-17(19,20)12-9-28-11(6-23-14(28)7-22-12)15-21-2-1-13(25-15)26-3-4-27-10(8-26)5-24-16(27)29/h2*5-6,8-9,11,14H,3-4,7,10H2,1-2H3,(H,29,30);3-4,8-9,11-12,30H,1-2,5-7,10H2,(H,24,31);1,3,5-8,10,12H,2,4,9,22H2;1-2,6-7,9-10H,3-5,8H2,(H,24,29)
InChIKeyKPJVBUHFKBIFBL-UHFFFAOYSA-N
XLogP13.24
TPSA478.92 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds16
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002140.05
LogP ≤ 513.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Analyze bis(3-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(3-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-amine?
The IUPAC name of bis(3-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-amine (CID 159201864) is bis(3-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-amine.
What is the SMILES notation for bis(3-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-amine?
The canonical SMILES for bis(3-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-amine is Cc1n[nH]c(C)c1C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.Cc1n[nH]c(C)c1C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.Nc1cnn(C2CCN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C2)c1.O=C(NCCO)C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.O=C1NCC2CN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)CCN12.
What is the InChIKey of bis(3-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-amine?
The InChIKey is KPJVBUHFKBIFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21F3N8.C19H20F3N7O2.C18H16F3N9.C17H15F3N8O/c2*1-12-19(13(2)30-29-12)14-4-3-7-31(10-14)17-5-6-25-20(28-17)15-8-27-18-9-26-16(11-32(15)18)21(22,23)24;20-19(21,22)14-11-29-13(8-26-16(29)9-25-14)17-23-4-3-15(27-17)28-6-1-2-12(10-28)18(31)24-5-7-30;19-18(20,21)14-10-29-13(6-25-16(29)7-24-14)17-23-3-1-15(27-17)28-4-2-12(9-28)30-8-11(22)5-26-30;18-17(19,20)12-9-28-11(6-23-14(28)7-22-12)15-21-2-1-13(25-15)26-3-4-27-10(8-26)5-24-16(27)29/h2*5-6,8-9,11,14H,3-4,7,10H2,1-2H3,(H,29,30);3-4,8-9,11-12,30H,1-2,5-7,10H2,(H,24,31);1,3,5-8,10,12H,2,4,9,22H2;1-2,6-7,9-10H,3-5,8H2,(H,24,29).
What are the key properties of bis(3-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-amine?
bis(3-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-amine has a molecular weight of 2140.05 g/mol, XLogP of 13.24, 16 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);N-(2-hydroxyethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-amine is sourced from PubChem (CID 159201864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).