N-[5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-3-pyridinyl]-2-chlorophenyl]-2-amino-1,3-oxazole-4-carboxamide;2-amino-N-[5-[6-[[(4-aminocyclohexyl)amino]methyl]-3-pyridinyl]-2-chlorophenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[6-[2-(1-methylpiperidin-4-yl)ethyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-(piperazin-1-ylmethyl)-3-pyridinyl]phenyl]ethanone

C109H120Cl5N27O10 — CID 157263142

IUPACN-[5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-3-pyridinyl]-2-chlorophenyl]-2-amino-1,3-oxazole-4-carboxamide;2-amino-N-[5-[6-[[(4-aminocyclohexyl)amino]methyl]-3-pyridinyl]-2-chlorophenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[6-[2-(1-methylpiperidin-4-yl)ethyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-(piperazin-1-ylmethyl)-3-pyridinyl]phenyl]ethanone
SMILESCN1CCC(CCc2ccc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)cn2)CC1.CNC1CCC(n2cc(-c3ccc(Cl)c(CC(=O)c4coc(N)n4)c3)cn2)CC1.Nc1nc(C(=O)Cc2cc(-c3ccc(CN4CCNCC4)nc3)ccc2Cl)co1.Nc1nc(C(=O)Nc2cc(-c3ccc(CN4CC5CNCC5C4)nc3)ccc2Cl)co1.Nc1nc(C(=O)Nc2cc(-c3ccc(CNC4CCC(N)CC4)nc3)ccc2Cl)co1
InChIInChI=1S/C23H26ClN5O2.C22H23ClN6O2.C22H25ClN6O2.C21H24ClN5O2.C21H22ClN5O2/c1-29-10-8-15(9-11-29)2-5-18-6-3-17(13-26-18)16-4-7-19(24)20(12-16)27-22(30)21-14-31-23(25)28-21;23-18-4-2-13(5-19(18)27-21(30)20-12-31-22(24)28-20)14-1-3-17(26-8-14)11-29-9-15-6-25-7-16(15)10-29;23-18-8-2-13(9-19(18)28-21(30)20-12-31-22(25)29-20)14-1-5-17(26-10-14)11-27-16-6-3-15(24)4-7-16;1-24-16-3-5-17(6-4-16)27-11-15(10-25-27)13-2-7-18(22)14(8-13)9-20(28)19-12-29-21(23)26-19;22-18-4-2-14(9-16(18)10-20(28)19-13-29-21(23)26-19)15-1-3-17(25-11-15)12-27-7-5-24-6-8-27/h3-4,6-7,12-15H,2,5,8-11H2,1H3,(H2,25,28)(H,27,30);1-5,8,12,15-16,25H,6-7,9-11H2,(H2,24,28)(H,27,30);1-2,5,8-10,12,15-16,27H,3-4,6-7,11,24H2,(H2,25,29)(H,28,30);2,7-8,10-12,16-17,24H,3-6,9H2,1H3,(H2,23,26);1-4,9,11,13,24H,5-8,10,12H2,(H2,23,26)
InChIKeyAXRSDHXXOZULOF-UHFFFAOYSA-N
MW2145.60 g/mol
LogP17.66
Rot. Bonds29

About N-[5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-3-pyridinyl]-2-chlorophenyl]-2-amino-1,3-oxazole-4-carboxamide;2-amino-N-[5-[6-[[(4-aminocyclohexyl)amino]methyl]-3-pyridinyl]-2-chlorophenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[6-[2-(1-methylpiperidin-4-yl)ethyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-(piperazin-1-ylmethyl)-3-pyridinyl]phenyl]ethanone

N-[5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-3-pyridinyl]-2-chlorophenyl]-2-amino-1,3-oxazole-4-carboxamide;2-amino-N-[5-[6-[[(4-aminocyclohexyl)amino]methyl]-3-pyridinyl]-2-chlorophenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[6-[2-(1-methylpiperidin-4-yl)ethyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-(piperazin-1-ylmethyl)-3-pyridinyl]phenyl]ethanone (PubChem CID 157263142) has the molecular formula C109H120Cl5N27O10 and a molecular weight of 2145.60 g/mol. Its IUPAC name is N-[5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-3-pyridinyl]-2-chlorophenyl]-2-amino-1,3-oxazole-4-carboxamide;2-amino-N-[5-[6-[[(4-aminocyclohexyl)amino]methyl]-3-pyridinyl]-2-chlorophenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[6-[2-(1-methylpiperidin-4-yl)ethyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-(piperazin-1-ylmethyl)-3-pyridinyl]phenyl]ethanone.

Molecular Properties

Compound NameN-[5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-3-pyridinyl]-2-chlorophenyl]-2-amino-1,3-oxazole-4-carboxamide;2-amino-N-[5-[6-[[(4-aminocyclohexyl)amino]methyl]-3-pyridinyl]-2-chlorophenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[6-[2-(1-methylpiperidin-4-yl)ethyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-(piperazin-1-ylmethyl)-3-pyridinyl]phenyl]ethanone
PubChem CID157263142
Molecular FormulaC109H120Cl5N27O10
Molecular Weight2145.60 g/mol
Exact Mass2141.82
IUPAC NameN-[5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-3-pyridinyl]-2-chlorophenyl]-2-amino-1,3-oxazole-4-carboxamide;2-amino-N-[5-[6-[[(4-aminocyclohexyl)amino]methyl]-3-pyridinyl]-2-chlorophenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[6-[2-(1-methylpiperidin-4-yl)ethyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-(piperazin-1-ylmethyl)-3-pyridinyl]phenyl]ethanone
SMILESCN1CCC(CCc2ccc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)cn2)CC1.CNC1CCC(n2cc(-c3ccc(Cl)c(CC(=O)c4coc(N)n4)c3)cn2)CC1.Nc1nc(C(=O)Cc2cc(-c3ccc(CN4CCNCC4)nc3)ccc2Cl)co1.Nc1nc(C(=O)Nc2cc(-c3ccc(CN4CC5CNCC5C4)nc3)ccc2Cl)co1.Nc1nc(C(=O)Nc2cc(-c3ccc(CNC4CCC(N)CC4)nc3)ccc2Cl)co1
InChIInChI=1S/C23H26ClN5O2.C22H23ClN6O2.C22H25ClN6O2.C21H24ClN5O2.C21H22ClN5O2/c1-29-10-8-15(9-11-29)2-5-18-6-3-17(13-26-18)16-4-7-19(24)20(12-16)27-22(30)21-14-31-23(25)28-21;23-18-4-2-13(5-19(18)27-21(30)20-12-31-22(24)28-20)14-1-3-17(26-8-14)11-29-9-15-6-25-7-16(15)10-29;23-18-8-2-13(9-19(18)28-21(30)20-12-31-22(25)29-20)14-1-5-17(26-10-14)11-27-16-6-3-15(24)4-7-16;1-24-16-3-5-17(6-4-16)27-11-15(10-25-27)13-2-7-18(22)14(8-13)9-20(28)19-12-29-21(23)26-19;22-18-4-2-14(9-16(18)10-20(28)19-13-29-21(23)26-19)15-1-3-17(25-11-15)12-27-7-5-24-6-8-27/h3-4,6-7,12-15H,2,5,8-11H2,1H3,(H2,25,28)(H,27,30);1-5,8,12,15-16,25H,6-7,9-11H2,(H2,24,28)(H,27,30);1-2,5,8-10,12,15-16,27H,3-4,6-7,11,24H2,(H2,25,29)(H,28,30);2,7-8,10-12,16-17,24H,3-6,9H2,1H3,(H2,23,26);1-4,9,11,13,24H,5-8,10,12H2,(H2,23,26)
InChIKeyAXRSDHXXOZULOF-UHFFFAOYSA-N
XLogP17.66
TPSA534.93 Ų
H-Bond Donors13
H-Bond Acceptors34
Rotatable Bonds29
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002145.60
LogP ≤ 517.66
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1034

Analyze N-[5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-3-pyridinyl]-2-chlorophenyl]-2-amino-1,3-oxazole-4-carboxamide;2-amino-N-[5-[6-[[(4-aminocyclohexyl)amino]methyl]-3-pyridinyl]-2-chlorophenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[6-[2-(1-methylpiperidin-4-yl)ethyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-(piperazin-1-ylmethyl)-3-pyridinyl]phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-3-pyridinyl]-2-chlorophenyl]-2-amino-1,3-oxazole-4-carboxamide;2-amino-N-[5-[6-[[(4-aminocyclohexyl)amino]methyl]-3-pyridinyl]-2-chlorophenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[6-[2-(1-methylpiperidin-4-yl)ethyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-(piperazin-1-ylmethyl)-3-pyridinyl]phenyl]ethanone?
The IUPAC name of N-[5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-3-pyridinyl]-2-chlorophenyl]-2-amino-1,3-oxazole-4-carboxamide;2-amino-N-[5-[6-[[(4-aminocyclohexyl)amino]methyl]-3-pyridinyl]-2-chlorophenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[6-[2-(1-methylpiperidin-4-yl)ethyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-(piperazin-1-ylmethyl)-3-pyridinyl]phenyl]ethanone (CID 157263142) is N-[5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-3-pyridinyl]-2-chlorophenyl]-2-amino-1,3-oxazole-4-carboxamide;2-amino-N-[5-[6-[[(4-aminocyclohexyl)amino]methyl]-3-pyridinyl]-2-chlorophenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[6-[2-(1-methylpiperidin-4-yl)ethyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-(piperazin-1-ylmethyl)-3-pyridinyl]phenyl]ethanone.
What is the SMILES notation for N-[5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-3-pyridinyl]-2-chlorophenyl]-2-amino-1,3-oxazole-4-carboxamide;2-amino-N-[5-[6-[[(4-aminocyclohexyl)amino]methyl]-3-pyridinyl]-2-chlorophenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[6-[2-(1-methylpiperidin-4-yl)ethyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-(piperazin-1-ylmethyl)-3-pyridinyl]phenyl]ethanone?
The canonical SMILES for N-[5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-3-pyridinyl]-2-chlorophenyl]-2-amino-1,3-oxazole-4-carboxamide;2-amino-N-[5-[6-[[(4-aminocyclohexyl)amino]methyl]-3-pyridinyl]-2-chlorophenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[6-[2-(1-methylpiperidin-4-yl)ethyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-(piperazin-1-ylmethyl)-3-pyridinyl]phenyl]ethanone is CN1CCC(CCc2ccc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)cn2)CC1.CNC1CCC(n2cc(-c3ccc(Cl)c(CC(=O)c4coc(N)n4)c3)cn2)CC1.Nc1nc(C(=O)Cc2cc(-c3ccc(CN4CCNCC4)nc3)ccc2Cl)co1.Nc1nc(C(=O)Nc2cc(-c3ccc(CN4CC5CNCC5C4)nc3)ccc2Cl)co1.Nc1nc(C(=O)Nc2cc(-c3ccc(CNC4CCC(N)CC4)nc3)ccc2Cl)co1.
What is the InChIKey of N-[5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-3-pyridinyl]-2-chlorophenyl]-2-amino-1,3-oxazole-4-carboxamide;2-amino-N-[5-[6-[[(4-aminocyclohexyl)amino]methyl]-3-pyridinyl]-2-chlorophenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[6-[2-(1-methylpiperidin-4-yl)ethyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-(piperazin-1-ylmethyl)-3-pyridinyl]phenyl]ethanone?
The InChIKey is AXRSDHXXOZULOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2.C22H23ClN6O2.C22H25ClN6O2.C21H24ClN5O2.C21H22ClN5O2/c1-29-10-8-15(9-11-29)2-5-18-6-3-17(13-26-18)16-4-7-19(24)20(12-16)27-22(30)21-14-31-23(25)28-21;23-18-4-2-13(5-19(18)27-21(30)20-12-31-22(24)28-20)14-1-3-17(26-8-14)11-29-9-15-6-25-7-16(15)10-29;23-18-8-2-13(9-19(18)28-21(30)20-12-31-22(25)29-20)14-1-5-17(26-10-14)11-27-16-6-3-15(24)4-7-16;1-24-16-3-5-17(6-4-16)27-11-15(10-25-27)13-2-7-18(22)14(8-13)9-20(28)19-12-29-21(23)26-19;22-18-4-2-14(9-16(18)10-20(28)19-13-29-21(23)26-19)15-1-3-17(25-11-15)12-27-7-5-24-6-8-27/h3-4,6-7,12-15H,2,5,8-11H2,1H3,(H2,25,28)(H,27,30);1-5,8,12,15-16,25H,6-7,9-11H2,(H2,24,28)(H,27,30);1-2,5,8-10,12,15-16,27H,3-4,6-7,11,24H2,(H2,25,29)(H,28,30);2,7-8,10-12,16-17,24H,3-6,9H2,1H3,(H2,23,26);1-4,9,11,13,24H,5-8,10,12H2,(H2,23,26).
What are the key properties of N-[5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-3-pyridinyl]-2-chlorophenyl]-2-amino-1,3-oxazole-4-carboxamide;2-amino-N-[5-[6-[[(4-aminocyclohexyl)amino]methyl]-3-pyridinyl]-2-chlorophenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[6-[2-(1-methylpiperidin-4-yl)ethyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-(piperazin-1-ylmethyl)-3-pyridinyl]phenyl]ethanone?
N-[5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-3-pyridinyl]-2-chlorophenyl]-2-amino-1,3-oxazole-4-carboxamide;2-amino-N-[5-[6-[[(4-aminocyclohexyl)amino]methyl]-3-pyridinyl]-2-chlorophenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[6-[2-(1-methylpiperidin-4-yl)ethyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-(piperazin-1-ylmethyl)-3-pyridinyl]phenyl]ethanone has a molecular weight of 2145.60 g/mol, XLogP of 17.66, 29 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-3-pyridinyl]-2-chlorophenyl]-2-amino-1,3-oxazole-4-carboxamide;2-amino-N-[5-[6-[[(4-aminocyclohexyl)amino]methyl]-3-pyridinyl]-2-chlorophenyl]-1,3-oxazole-4-carboxamide;2-amino-N-[2-chloro-5-[6-[2-(1-methylpiperidin-4-yl)ethyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[6-(piperazin-1-ylmethyl)-3-pyridinyl]phenyl]ethanone is sourced from PubChem (CID 157263142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).