5-[5-(cyclohexylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-2-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyrimidin-5-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid)

C103H101F9N34O20S7 — CID 158965444

IUPAC5-[5-(cyclohexylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-2-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyrimidin-5-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid)
SMILESCOc1ccc(CN2Cc3cn(C4=CC(=O)NS4=O)nc3C2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C1C=C(n2cc3c(n2)CCN(C(=O)C2CC2)C3)S(=O)N1.O=C1C=C(n2cc3c(n2)CN(Cc2ccc(C(F)(F)F)nc2)C3)S(=O)N1.O=C1C=C(n2cc3c(n2)CN(Cc2ccccn2)C3)S(=O)N1.O=C1C=C(n2cc3c(n2)CN(Cc2ccncc2)C3)S(=O)N1.O=C1C=C(n2ncc3c2CN(CC2CCCCC2)C3)S(=O)N1.O=C1C=C(n2ncc3c2CN(Cc2cncnc2)C3)S(=O)N1
InChIInChI=1S/C15H12F3N5O2S.C15H15N5O3S.C15H20N4O2S.2C14H13N5O2S.C13H12N6O2S.C13H14N4O3S.2C2HF3O2/c16-15(17,18)12-2-1-9(4-19-12)5-22-6-10-7-23(20-11(10)8-22)14-3-13(24)21-26(14)25;1-23-14-3-2-10(5-16-14)6-19-7-11-8-20(17-12(11)9-19)15-4-13(21)18-24(15)22;20-14-6-15(22(21)17-14)19-13-10-18(9-12(13)7-16-19)8-11-4-2-1-3-5-11;20-13-5-14(22(21)17-13)19-8-11-7-18(9-12(11)16-19)6-10-1-3-15-4-2-10;20-13-5-14(22(21)17-13)19-7-10-6-18(9-12(10)16-19)8-11-3-1-2-4-15-11;20-12-1-13(22(21)17-12)19-11-7-18(6-10(11)4-16-19)5-9-2-14-8-15-3-9;18-11-5-12(21(20)15-11)17-7-9-6-16(4-3-10(9)14-17)13(19)8-1-2-8;2*3-2(4,5)1(6)7/h1-4,7H,5-6,8H2,(H,21,24);2-5,8H,6-7,9H2,1H3,(H,18,21);6-7,11H,1-5,8-10H2,(H,17,20);1-5,8H,6-7,9H2,(H,17,20);1-5,7H,6,8-9H2,(H,17,20);1-4,8H,5-7H2,(H,17,20);5,7-8H,1-4,6H2,(H,15,18);2*(H,6,7)
InChIKeyJXNPEPMUUZQYBT-UHFFFAOYSA-N
MW2530.61 g/mol
LogP4.76
Rot. Bonds21

About 5-[5-(cyclohexylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-2-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyrimidin-5-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid)

5-[5-(cyclohexylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-2-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyrimidin-5-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid) (PubChem CID 158965444) has the molecular formula C103H101F9N34O20S7 and a molecular weight of 2530.61 g/mol. Its IUPAC name is 5-[5-(cyclohexylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-2-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyrimidin-5-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name5-[5-(cyclohexylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-2-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyrimidin-5-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid)
PubChem CID158965444
Molecular FormulaC103H101F9N34O20S7
Molecular Weight2530.61 g/mol
Exact Mass2528.58
IUPAC Name5-[5-(cyclohexylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-2-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyrimidin-5-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid)
SMILESCOc1ccc(CN2Cc3cn(C4=CC(=O)NS4=O)nc3C2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C1C=C(n2cc3c(n2)CCN(C(=O)C2CC2)C3)S(=O)N1.O=C1C=C(n2cc3c(n2)CN(Cc2ccc(C(F)(F)F)nc2)C3)S(=O)N1.O=C1C=C(n2cc3c(n2)CN(Cc2ccccn2)C3)S(=O)N1.O=C1C=C(n2cc3c(n2)CN(Cc2ccncc2)C3)S(=O)N1.O=C1C=C(n2ncc3c2CN(CC2CCCCC2)C3)S(=O)N1.O=C1C=C(n2ncc3c2CN(Cc2cncnc2)C3)S(=O)N1
InChIInChI=1S/C15H12F3N5O2S.C15H15N5O3S.C15H20N4O2S.2C14H13N5O2S.C13H12N6O2S.C13H14N4O3S.2C2HF3O2/c16-15(17,18)12-2-1-9(4-19-12)5-22-6-10-7-23(20-11(10)8-22)14-3-13(24)21-26(14)25;1-23-14-3-2-10(5-16-14)6-19-7-11-8-20(17-12(11)9-19)15-4-13(21)18-24(15)22;20-14-6-15(22(21)17-14)19-13-10-18(9-12(13)7-16-19)8-11-4-2-1-3-5-11;20-13-5-14(22(21)17-13)19-8-11-7-18(9-12(11)16-19)6-10-1-3-15-4-2-10;20-13-5-14(22(21)17-13)19-7-10-6-18(9-12(10)16-19)8-11-3-1-2-4-15-11;20-12-1-13(22(21)17-12)19-11-7-18(6-10(11)4-16-19)5-9-2-14-8-15-3-9;18-11-5-12(21(20)15-11)17-7-9-6-16(4-3-10(9)14-17)13(19)8-1-2-8;2*3-2(4,5)1(6)7/h1-4,7H,5-6,8H2,(H,21,24);2-5,8H,6-7,9H2,1H3,(H,18,21);6-7,11H,1-5,8-10H2,(H,17,20);1-5,8H,6-7,9H2,(H,17,20);1-5,7H,6,8-9H2,(H,17,20);1-4,8H,5-7H2,(H,17,20);5,7-8H,1-4,6H2,(H,15,18);2*(H,6,7)
InChIKeyJXNPEPMUUZQYBT-UHFFFAOYSA-N
XLogP4.76
TPSA648.85 Ų
H-Bond Donors9
H-Bond Acceptors44
Rotatable Bonds21
Heavy Atoms173
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002530.61
LogP ≤ 54.76
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1044

Analyze 5-[5-(cyclohexylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-2-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyrimidin-5-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[5-(cyclohexylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-2-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyrimidin-5-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 5-[5-(cyclohexylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-2-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyrimidin-5-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid) (CID 158965444) is 5-[5-(cyclohexylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-2-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyrimidin-5-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 5-[5-(cyclohexylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-2-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyrimidin-5-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 5-[5-(cyclohexylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-2-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyrimidin-5-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid) is COc1ccc(CN2Cc3cn(C4=CC(=O)NS4=O)nc3C2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C1C=C(n2cc3c(n2)CCN(C(=O)C2CC2)C3)S(=O)N1.O=C1C=C(n2cc3c(n2)CN(Cc2ccc(C(F)(F)F)nc2)C3)S(=O)N1.O=C1C=C(n2cc3c(n2)CN(Cc2ccccn2)C3)S(=O)N1.O=C1C=C(n2cc3c(n2)CN(Cc2ccncc2)C3)S(=O)N1.O=C1C=C(n2ncc3c2CN(CC2CCCCC2)C3)S(=O)N1.O=C1C=C(n2ncc3c2CN(Cc2cncnc2)C3)S(=O)N1.
What is the InChIKey of 5-[5-(cyclohexylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-2-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyrimidin-5-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is JXNPEPMUUZQYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O2S.C15H15N5O3S.C15H20N4O2S.2C14H13N5O2S.C13H12N6O2S.C13H14N4O3S.2C2HF3O2/c16-15(17,18)12-2-1-9(4-19-12)5-22-6-10-7-23(20-11(10)8-22)14-3-13(24)21-26(14)25;1-23-14-3-2-10(5-16-14)6-19-7-11-8-20(17-12(11)9-19)15-4-13(21)18-24(15)22;20-14-6-15(22(21)17-14)19-13-10-18(9-12(13)7-16-19)8-11-4-2-1-3-5-11;20-13-5-14(22(21)17-13)19-8-11-7-18(9-12(11)16-19)6-10-1-3-15-4-2-10;20-13-5-14(22(21)17-13)19-7-10-6-18(9-12(10)16-19)8-11-3-1-2-4-15-11;20-12-1-13(22(21)17-12)19-11-7-18(6-10(11)4-16-19)5-9-2-14-8-15-3-9;18-11-5-12(21(20)15-11)17-7-9-6-16(4-3-10(9)14-17)13(19)8-1-2-8;2*3-2(4,5)1(6)7/h1-4,7H,5-6,8H2,(H,21,24);2-5,8H,6-7,9H2,1H3,(H,18,21);6-7,11H,1-5,8-10H2,(H,17,20);1-5,8H,6-7,9H2,(H,17,20);1-5,7H,6,8-9H2,(H,17,20);1-4,8H,5-7H2,(H,17,20);5,7-8H,1-4,6H2,(H,15,18);2*(H,6,7).
What are the key properties of 5-[5-(cyclohexylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-2-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyrimidin-5-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid)?
5-[5-(cyclohexylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-2-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyrimidin-5-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 2530.61 g/mol, XLogP of 4.76, 21 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(cyclohexylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-2-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyridin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;1-oxo-5-[5-(pyrimidin-5-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 158965444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).