2-[3-[1-(difluoromethyl)-4-[ethyl(oxan-4-yl)amino]-5-methylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1H-indazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one

C107H136F2N12O15 — CID 160736271

IUPAC2-[3-[1-(difluoromethyl)-4-[ethyl(oxan-4-yl)amino]-5-methylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1H-indazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one
SMILESCCN(c1c(C)c(C(=O)CCC2=C(C)C=C(C)CC2=O)cc2c1cnn2C)C1CCOCC1.CCN(c1c(C)c(C(=O)CCC2=C(OC)C=C(C)CC2=O)cc2[nH]ncc12)C1CCOCC1.CCN(c1c(C)c(C(=O)CCC2=C(OC)C=C(C)CC2=O)cc2c1cnn2C(F)F)C1CCOCC1.CCN(c1c(C)c(C(=O)CCC2=C(OC)C=C(C)CC2=O)cc2c1cnn2C)C1CCOCC1
InChIInChI=1S/C27H33F2N3O4.C27H35N3O4.C27H35N3O3.C26H33N3O4/c1-5-31(18-8-10-36-11-9-18)26-17(3)20(14-22-21(26)15-30-32(22)27(28)29)23(33)7-6-19-24(34)12-16(2)13-25(19)35-4;1-6-30(19-9-11-34-12-10-19)27-18(3)21(15-23-22(27)16-28-29(23)4)24(31)8-7-20-25(32)13-17(2)14-26(20)33-5;1-6-30(20-9-11-33-12-10-20)27-19(4)22(15-24-23(27)16-28-29(24)5)25(31)8-7-21-18(3)13-17(2)14-26(21)32;1-5-29(18-8-10-33-11-9-18)26-17(3)20(14-22-21(26)15-27-28-22)23(30)7-6-19-24(31)12-16(2)13-25(19)32-4/h13-15,18,27H,5-12H2,1-4H3;14-16,19H,6-13H2,1-5H3;13,15-16,20H,6-12,14H2,1-5H3;13-15,18H,5-12H2,1-4H3,(H,27,28)
InChIKeyRUZKJXWSHGFSBI-UHFFFAOYSA-N
MW1868.33 g/mol
LogP19.94
Rot. Bonds32

About 2-[3-[1-(difluoromethyl)-4-[ethyl(oxan-4-yl)amino]-5-methylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1H-indazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one

2-[3-[1-(difluoromethyl)-4-[ethyl(oxan-4-yl)amino]-5-methylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1H-indazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one (PubChem CID 160736271) has the molecular formula C107H136F2N12O15 and a molecular weight of 1868.33 g/mol. Its IUPAC name is 2-[3-[1-(difluoromethyl)-4-[ethyl(oxan-4-yl)amino]-5-methylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1H-indazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2-[3-[1-(difluoromethyl)-4-[ethyl(oxan-4-yl)amino]-5-methylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1H-indazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one
PubChem CID160736271
Molecular FormulaC107H136F2N12O15
Molecular Weight1868.33 g/mol
Exact Mass1867.02
IUPAC Name2-[3-[1-(difluoromethyl)-4-[ethyl(oxan-4-yl)amino]-5-methylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1H-indazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one
SMILESCCN(c1c(C)c(C(=O)CCC2=C(C)C=C(C)CC2=O)cc2c1cnn2C)C1CCOCC1.CCN(c1c(C)c(C(=O)CCC2=C(OC)C=C(C)CC2=O)cc2[nH]ncc12)C1CCOCC1.CCN(c1c(C)c(C(=O)CCC2=C(OC)C=C(C)CC2=O)cc2c1cnn2C(F)F)C1CCOCC1.CCN(c1c(C)c(C(=O)CCC2=C(OC)C=C(C)CC2=O)cc2c1cnn2C)C1CCOCC1
InChIInChI=1S/C27H33F2N3O4.C27H35N3O4.C27H35N3O3.C26H33N3O4/c1-5-31(18-8-10-36-11-9-18)26-17(3)20(14-22-21(26)15-30-32(22)27(28)29)23(33)7-6-19-24(34)12-16(2)13-25(19)35-4;1-6-30(19-9-11-34-12-10-19)27-18(3)21(15-23-22(27)16-28-29(23)4)24(31)8-7-20-25(32)13-17(2)14-26(20)33-5;1-6-30(20-9-11-33-12-10-20)27-19(4)22(15-24-23(27)16-28-29(24)5)25(31)8-7-21-18(3)13-17(2)14-26(21)32;1-5-29(18-8-10-33-11-9-18)26-17(3)20(14-22-21(26)15-27-28-22)23(30)7-6-19-24(31)12-16(2)13-25(19)32-4/h13-15,18,27H,5-12H2,1-4H3;14-16,19H,6-13H2,1-5H3;13,15-16,20H,6-12,14H2,1-5H3;13-15,18H,5-12H2,1-4H3,(H,27,28)
InChIKeyRUZKJXWSHGFSBI-UHFFFAOYSA-N
XLogP19.94
TPSA296.27 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds32
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001868.33
LogP ≤ 519.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Analyze 2-[3-[1-(difluoromethyl)-4-[ethyl(oxan-4-yl)amino]-5-methylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1H-indazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(difluoromethyl)-4-[ethyl(oxan-4-yl)amino]-5-methylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1H-indazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one?
The IUPAC name of 2-[3-[1-(difluoromethyl)-4-[ethyl(oxan-4-yl)amino]-5-methylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1H-indazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one (CID 160736271) is 2-[3-[1-(difluoromethyl)-4-[ethyl(oxan-4-yl)amino]-5-methylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1H-indazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2-[3-[1-(difluoromethyl)-4-[ethyl(oxan-4-yl)amino]-5-methylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1H-indazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 2-[3-[1-(difluoromethyl)-4-[ethyl(oxan-4-yl)amino]-5-methylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1H-indazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one is CCN(c1c(C)c(C(=O)CCC2=C(C)C=C(C)CC2=O)cc2c1cnn2C)C1CCOCC1.CCN(c1c(C)c(C(=O)CCC2=C(OC)C=C(C)CC2=O)cc2[nH]ncc12)C1CCOCC1.CCN(c1c(C)c(C(=O)CCC2=C(OC)C=C(C)CC2=O)cc2c1cnn2C(F)F)C1CCOCC1.CCN(c1c(C)c(C(=O)CCC2=C(OC)C=C(C)CC2=O)cc2c1cnn2C)C1CCOCC1.
What is the InChIKey of 2-[3-[1-(difluoromethyl)-4-[ethyl(oxan-4-yl)amino]-5-methylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1H-indazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one?
The InChIKey is RUZKJXWSHGFSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F2N3O4.C27H35N3O4.C27H35N3O3.C26H33N3O4/c1-5-31(18-8-10-36-11-9-18)26-17(3)20(14-22-21(26)15-30-32(22)27(28)29)23(33)7-6-19-24(34)12-16(2)13-25(19)35-4;1-6-30(19-9-11-34-12-10-19)27-18(3)21(15-23-22(27)16-28-29(23)4)24(31)8-7-20-25(32)13-17(2)14-26(20)33-5;1-6-30(20-9-11-33-12-10-20)27-19(4)22(15-24-23(27)16-28-29(24)5)25(31)8-7-21-18(3)13-17(2)14-26(21)32;1-5-29(18-8-10-33-11-9-18)26-17(3)20(14-22-21(26)15-27-28-22)23(30)7-6-19-24(31)12-16(2)13-25(19)32-4/h13-15,18,27H,5-12H2,1-4H3;14-16,19H,6-13H2,1-5H3;13,15-16,20H,6-12,14H2,1-5H3;13-15,18H,5-12H2,1-4H3,(H,27,28).
What are the key properties of 2-[3-[1-(difluoromethyl)-4-[ethyl(oxan-4-yl)amino]-5-methylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1H-indazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one?
2-[3-[1-(difluoromethyl)-4-[ethyl(oxan-4-yl)amino]-5-methylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1H-indazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one has a molecular weight of 1868.33 g/mol, XLogP of 19.94, 32 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(difluoromethyl)-4-[ethyl(oxan-4-yl)amino]-5-methylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1H-indazol-6-yl]-3-oxopropyl]-3-methoxy-5-methylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 160736271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).