N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1,7-dimethyl-4-[methyl-[4-(trifluoromethylamino)cyclohexyl]amino]indazole-6-carboxamide

C26H37F3N6O2 — CID 162678245

IUPACN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1,7-dimethyl-4-[methyl-[4-(trifluoromethylamino)cyclohexyl]amino]indazole-6-carboxamide
SMILESCc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc(N(C)C2CCC(NC(F)(F)F)CC2)c2cnn(C)c12
InChIInChI=1S/C26H37F3N6O2/c1-14-10-15(2)32-25(37)20(14)12-30-24(36)19-11-22(21-13-31-35(5)23(21)16(19)3)34(4)18-8-6-17(7-9-18)33-26(27,28)29/h11,13-15,17-18,20,33H,6-10,12H2,1-5H3,(H,30,36)(H,32,37)
InChIKeyOQERCJIPIIYUOJ-UHFFFAOYSA-N
MW522.62 g/mol
LogP3.63
Rot. Bonds6

About N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1,7-dimethyl-4-[methyl-[4-(trifluoromethylamino)cyclohexyl]amino]indazole-6-carboxamide

N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1,7-dimethyl-4-[methyl-[4-(trifluoromethylamino)cyclohexyl]amino]indazole-6-carboxamide (PubChem CID 162678245) has the molecular formula C26H37F3N6O2 and a molecular weight of 522.62 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1,7-dimethyl-4-[methyl-[4-(trifluoromethylamino)cyclohexyl]amino]indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1,7-dimethyl-4-[methyl-[4-(trifluoromethylamino)cyclohexyl]amino]indazole-6-carboxamide
PubChem CID162678245
Molecular FormulaC26H37F3N6O2
Molecular Weight522.62 g/mol
Exact Mass522.29
IUPAC NameN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1,7-dimethyl-4-[methyl-[4-(trifluoromethylamino)cyclohexyl]amino]indazole-6-carboxamide
SMILESCc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc(N(C)C2CCC(NC(F)(F)F)CC2)c2cnn(C)c12
InChIInChI=1S/C26H37F3N6O2/c1-14-10-15(2)32-25(37)20(14)12-30-24(36)19-11-22(21-13-31-35(5)23(21)16(19)3)34(4)18-8-6-17(7-9-18)33-26(27,28)29/h11,13-15,17-18,20,33H,6-10,12H2,1-5H3,(H,30,36)(H,32,37)
InChIKeyOQERCJIPIIYUOJ-UHFFFAOYSA-N
XLogP3.63
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.62
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1,7-dimethyl-4-[methyl-[4-(trifluoromethylamino)cyclohexyl]amino]indazole-6-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1,7-dimethyl-4-[methyl-[4-(trifluoromethylamino)cyclohexyl]amino]indazole-6-carboxamide (CID 162678245) is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1,7-dimethyl-4-[methyl-[4-(trifluoromethylamino)cyclohexyl]amino]indazole-6-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1,7-dimethyl-4-[methyl-[4-(trifluoromethylamino)cyclohexyl]amino]indazole-6-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1,7-dimethyl-4-[methyl-[4-(trifluoromethylamino)cyclohexyl]amino]indazole-6-carboxamide is Cc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc(N(C)C2CCC(NC(F)(F)F)CC2)c2cnn(C)c12.
What is the InChIKey of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1,7-dimethyl-4-[methyl-[4-(trifluoromethylamino)cyclohexyl]amino]indazole-6-carboxamide?
The InChIKey is OQERCJIPIIYUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37F3N6O2/c1-14-10-15(2)32-25(37)20(14)12-30-24(36)19-11-22(21-13-31-35(5)23(21)16(19)3)34(4)18-8-6-17(7-9-18)33-26(27,28)29/h11,13-15,17-18,20,33H,6-10,12H2,1-5H3,(H,30,36)(H,32,37).
What are the key properties of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1,7-dimethyl-4-[methyl-[4-(trifluoromethylamino)cyclohexyl]amino]indazole-6-carboxamide?
N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1,7-dimethyl-4-[methyl-[4-(trifluoromethylamino)cyclohexyl]amino]indazole-6-carboxamide has a molecular weight of 522.62 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1,7-dimethyl-4-[methyl-[4-(trifluoromethylamino)cyclohexyl]amino]indazole-6-carboxamide is sourced from PubChem (CID 162678245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).