N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-4-yl]-3,3-difluoropiperidine-1-carboxamide;2-(3-acetyl-4-methylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1,1-difluorocyclohexane

C59H64Cl2F6N10O7 — CID 159996183

IUPACN-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-4-yl]-3,3-difluoropiperidine-1-carboxamide;2-(3-acetyl-4-methylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1,1-difluorocyclohexane
SMILESCC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cccc(C)c12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cccc(NC(=O)N3CCCC(F)(F)C3)c12.FC1(F)CCCCC1
InChIInChI=1S/C29H30ClF3N6O4.C24H24ClFN4O3.C6H10F2/c1-17(40)27-25-21(35-28(43)37-12-4-11-29(32,33)16-37)7-3-8-22(25)39(36-27)15-24(42)38(19-9-10-19)14-23(41)34-13-18-5-2-6-20(30)26(18)31;1-14-5-3-8-19-22(14)24(15(2)31)28-30(19)13-21(33)29(17-9-10-17)12-20(32)27-11-16-6-4-7-18(25)23(16)26;7-6(8)4-2-1-3-5-6/h2-3,5-8,19H,4,9-16H2,1H3,(H,34,41)(H,35,43);3-8,17H,9-13H2,1-2H3,(H,27,32);1-5H2
InChIKeyOHOMFWRXKWRFHC-UHFFFAOYSA-N
MW1210.12 g/mol
LogP10.83
Rot. Bonds17

About N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-4-yl]-3,3-difluoropiperidine-1-carboxamide;2-(3-acetyl-4-methylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1,1-difluorocyclohexane

N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-4-yl]-3,3-difluoropiperidine-1-carboxamide;2-(3-acetyl-4-methylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1,1-difluorocyclohexane (PubChem CID 159996183) has the molecular formula C59H64Cl2F6N10O7 and a molecular weight of 1210.12 g/mol. Its IUPAC name is N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-4-yl]-3,3-difluoropiperidine-1-carboxamide;2-(3-acetyl-4-methylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1,1-difluorocyclohexane.

Molecular Properties

Compound NameN-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-4-yl]-3,3-difluoropiperidine-1-carboxamide;2-(3-acetyl-4-methylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1,1-difluorocyclohexane
PubChem CID159996183
Molecular FormulaC59H64Cl2F6N10O7
Molecular Weight1210.12 g/mol
Exact Mass1208.42
IUPAC NameN-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-4-yl]-3,3-difluoropiperidine-1-carboxamide;2-(3-acetyl-4-methylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1,1-difluorocyclohexane
SMILESCC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cccc(C)c12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cccc(NC(=O)N3CCCC(F)(F)C3)c12.FC1(F)CCCCC1
InChIInChI=1S/C29H30ClF3N6O4.C24H24ClFN4O3.C6H10F2/c1-17(40)27-25-21(35-28(43)37-12-4-11-29(32,33)16-37)7-3-8-22(25)39(36-27)15-24(42)38(19-9-10-19)14-23(41)34-13-18-5-2-6-20(30)26(18)31;1-14-5-3-8-19-22(14)24(15(2)31)28-30(19)13-21(33)29(17-9-10-17)12-20(32)27-11-16-6-4-7-18(25)23(16)26;7-6(8)4-2-1-3-5-6/h2-3,5-8,19H,4,9-16H2,1H3,(H,34,41)(H,35,43);3-8,17H,9-13H2,1-2H3,(H,27,32);1-5H2
InChIKeyOHOMFWRXKWRFHC-UHFFFAOYSA-N
XLogP10.83
TPSA200.94 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001210.12
LogP ≤ 510.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-4-yl]-3,3-difluoropiperidine-1-carboxamide;2-(3-acetyl-4-methylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1,1-difluorocyclohexane with MolForge

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Related Compounds

1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(cyclohexylcarbamoylamino)indazole-3-carboxamide
CID 130299863
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-(diethylamino)ethylcarbamoylamino]indazole-3-carboxamide
CID 130299987
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]indazole-3-carboxamide
CID 130300006
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]amino]indazole-3-carboxamide
CID 130300248
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide
CID 130300256
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide
CID 130300288
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(4-cyclopropylpiperazine-1-carbonyl)amino]indazole-3-carboxamide
CID 130300317
N,N''-Bis(2-((2-(7-chloro-6-oxo-6H-dibenzo[cd,g]indazol-2-yl)ethyl)methylamino)ethyl)malonamide
CID 25164923
1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-[(4,4-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide
CID 118322370
1-(2-((1R,3S,5R)-3-(2'-chloro-2-fluorobiphenyl-3-ylcarbamoyl)-2-azabicyclo[3.1.0]hexan-2-yl)-2-oxoethyl)-5-(3,3-difluoropiperidine-1-carboxamido)-1H-indazole-3-carboxamide
CID 118322423
1-(2-((2S,4R)-2-(2'-chloro-2-fluorobiphenyl-3-ylcarbamoyl)-4-fluoropyrrolidin-1-yl)-2-oxoethyl)-5-(3,3-difluoropiperidine-1-carboxamido)-1H-indazole-3-carboxamide
CID 118322436
(1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-N-[(1R)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 118796758

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-4-yl]-3,3-difluoropiperidine-1-carboxamide;2-(3-acetyl-4-methylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1,1-difluorocyclohexane?
The IUPAC name of N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-4-yl]-3,3-difluoropiperidine-1-carboxamide;2-(3-acetyl-4-methylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1,1-difluorocyclohexane (CID 159996183) is N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-4-yl]-3,3-difluoropiperidine-1-carboxamide;2-(3-acetyl-4-methylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1,1-difluorocyclohexane.
What is the SMILES notation for N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-4-yl]-3,3-difluoropiperidine-1-carboxamide;2-(3-acetyl-4-methylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1,1-difluorocyclohexane?
The canonical SMILES for N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-4-yl]-3,3-difluoropiperidine-1-carboxamide;2-(3-acetyl-4-methylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1,1-difluorocyclohexane is CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cccc(C)c12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cccc(NC(=O)N3CCCC(F)(F)C3)c12.FC1(F)CCCCC1.
What is the InChIKey of N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-4-yl]-3,3-difluoropiperidine-1-carboxamide;2-(3-acetyl-4-methylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1,1-difluorocyclohexane?
The InChIKey is OHOMFWRXKWRFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClF3N6O4.C24H24ClFN4O3.C6H10F2/c1-17(40)27-25-21(35-28(43)37-12-4-11-29(32,33)16-37)7-3-8-22(25)39(36-27)15-24(42)38(19-9-10-19)14-23(41)34-13-18-5-2-6-20(30)26(18)31;1-14-5-3-8-19-22(14)24(15(2)31)28-30(19)13-21(33)29(17-9-10-17)12-20(32)27-11-16-6-4-7-18(25)23(16)26;7-6(8)4-2-1-3-5-6/h2-3,5-8,19H,4,9-16H2,1H3,(H,34,41)(H,35,43);3-8,17H,9-13H2,1-2H3,(H,27,32);1-5H2.
What are the key properties of N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-4-yl]-3,3-difluoropiperidine-1-carboxamide;2-(3-acetyl-4-methylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1,1-difluorocyclohexane?
N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-4-yl]-3,3-difluoropiperidine-1-carboxamide;2-(3-acetyl-4-methylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1,1-difluorocyclohexane has a molecular weight of 1210.12 g/mol, XLogP of 10.83, 17 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-4-yl]-3,3-difluoropiperidine-1-carboxamide;2-(3-acetyl-4-methylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1,1-difluorocyclohexane is sourced from PubChem (CID 159996183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).