3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-fluoro-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)

C79H67F21N34O — CID 158056500

IUPAC3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-fluoro-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)
SMILESCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2C(F)(F)F)N1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2C(F)(F)F)N1.FC(F)OC1CC(c2cn[nH]c2)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.Fc1[nH]ncc1C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/2C20H17F6N9.C20H17F5N8O.C19H16F4N8/c2*1-10-7-34(8-12(31-10)11-4-30-33-17(11)20(24,25)26)15-2-3-27-18(32-15)13-5-29-16-6-28-14(9-35(13)16)19(21,22)23;21-19(22)34-13-3-11(12-4-29-30-5-12)8-32(9-13)16-1-2-26-18(31-16)14-6-28-17-7-27-15(10-33(14)17)20(23,24)25;20-17-12(6-27-29-17)11-2-1-5-30(9-11)15-3-4-24-18(28-15)13-7-26-16-8-25-14(10-31(13)16)19(21,22)23/h2*2-6,9-10,12,31H,7-8H2,1H3,(H,30,33);1-2,4-7,10-11,13,19H,3,8-9H2,(H,29,30);3-4,6-8,10-11H,1-2,5,9H2,(H,27,29)
InChIKeyFKCSATWXPGPUKN-UHFFFAOYSA-N
MW1907.60 g/mol
LogP13.95
Rot. Bonds14

About 3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-fluoro-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)

3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-fluoro-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine) (PubChem CID 158056500) has the molecular formula C79H67F21N34O and a molecular weight of 1907.60 g/mol. Its IUPAC name is 3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-fluoro-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine).

Molecular Properties

Compound Name3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-fluoro-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)
PubChem CID158056500
Molecular FormulaC79H67F21N34O
Molecular Weight1907.60 g/mol
Exact Mass1906.59
IUPAC Name3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-fluoro-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)
SMILESCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2C(F)(F)F)N1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2C(F)(F)F)N1.FC(F)OC1CC(c2cn[nH]c2)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.Fc1[nH]ncc1C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/2C20H17F6N9.C20H17F5N8O.C19H16F4N8/c2*1-10-7-34(8-12(31-10)11-4-30-33-17(11)20(24,25)26)15-2-3-27-18(32-15)13-5-29-16-6-28-14(9-35(13)16)19(21,22)23;21-19(22)34-13-3-11(12-4-29-30-5-12)8-32(9-13)16-1-2-26-18(31-16)14-6-28-17-7-27-15(10-33(14)17)20(23,24)25;20-17-12(6-27-29-17)11-2-1-5-30(9-11)15-3-4-24-18(28-15)13-7-26-16-8-25-14(10-31(13)16)19(21,22)23/h2*2-6,9-10,12,31H,7-8H2,1H3,(H,30,33);1-2,4-7,10-11,13,19H,3,8-9H2,(H,29,30);3-4,6-8,10-11H,1-2,5,9H2,(H,27,29)
InChIKeyFKCSATWXPGPUKN-UHFFFAOYSA-N
XLogP13.95
TPSA384.85 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds14
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001907.60
LogP ≤ 513.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Analyze 3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-fluoro-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine) with MolForge

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Related Compounds

(3R,5S)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol
CID 139343365
5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol
CID 139343406
(3S)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol
CID 139343408
(3R,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol
CID 139343714
(3S,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol
CID 139350920
(3S,5S)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol
CID 139350997
3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139359040
3-[4-[3-methoxy-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139359105
2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 156692591
3-[4-[2,5-dimethyl-3-[2-(trifluoromethyl)-1H-imidazol-5-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-methyl-5-(2-methylpyrazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-pyrazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-(trifluoromethyl)-3-[4-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 157632744
(2S,6S)-2-methyl-6-(1H-pyrazol-5-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;3-[2-[(3S,5S)-3-methyl-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R,5R)-3-methyl-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2S,6S)-2-methyl-6-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2R,6R)-2-methyl-6-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 157746318
(3S,4R)-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-methoxypiperidin-4-amine;3-methyl-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen;3,3,3-trifluoro-1-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]-2,2-dimethylpropan-1-amine
CID 157857522

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-fluoro-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)?
The IUPAC name of 3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-fluoro-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine) (CID 158056500) is 3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-fluoro-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine).
What is the SMILES notation for 3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-fluoro-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)?
The canonical SMILES for 3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-fluoro-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine) is CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2C(F)(F)F)N1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2C(F)(F)F)N1.FC(F)OC1CC(c2cn[nH]c2)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.Fc1[nH]ncc1C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of 3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-fluoro-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)?
The InChIKey is FKCSATWXPGPUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H17F6N9.C20H17F5N8O.C19H16F4N8/c2*1-10-7-34(8-12(31-10)11-4-30-33-17(11)20(24,25)26)15-2-3-27-18(32-15)13-5-29-16-6-28-14(9-35(13)16)19(21,22)23;21-19(22)34-13-3-11(12-4-29-30-5-12)8-32(9-13)16-1-2-26-18(31-16)14-6-28-17-7-27-15(10-33(14)17)20(23,24)25;20-17-12(6-27-29-17)11-2-1-5-30(9-11)15-3-4-24-18(28-15)13-7-26-16-8-25-14(10-31(13)16)19(21,22)23/h2*2-6,9-10,12,31H,7-8H2,1H3,(H,30,33);1-2,4-7,10-11,13,19H,3,8-9H2,(H,29,30);3-4,6-8,10-11H,1-2,5,9H2,(H,27,29).
What are the key properties of 3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-fluoro-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)?
3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-fluoro-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine) has a molecular weight of 1907.60 g/mol, XLogP of 13.95, 14 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(difluoromethoxy)-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(5-fluoro-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine) is sourced from PubChem (CID 158056500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).