N-[1-[4-(1-methylimidazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide

C24H30F3N7O — CID 56676473

IUPACN-[1-[4-(1-methylimidazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
SMILESCn1ccnc1C1CCC(N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C24H30F3N7O/c1-32-10-9-28-23(32)15-3-6-18(7-4-15)34-13-17(14-34)30-21(35)12-29-22-19-11-16(24(25,26)27)5-8-20(19)33(2)31-22/h5,8-11,15,17-18H,3-4,6-7,12-14H2,1-2H3,(H,29,31)(H,30,35)
InChIKeyIHLUBBXLGBYUJB-UHFFFAOYSA-N
MW489.55 g/mol
LogP3.26
Rot. Bonds6

About N-[1-[4-(1-methylimidazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide

N-[1-[4-(1-methylimidazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide (PubChem CID 56676473) has the molecular formula C24H30F3N7O and a molecular weight of 489.55 g/mol. Its IUPAC name is N-[1-[4-(1-methylimidazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-[1-[4-(1-methylimidazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
PubChem CID56676473
Molecular FormulaC24H30F3N7O
Molecular Weight489.55 g/mol
Exact Mass489.25
IUPAC NameN-[1-[4-(1-methylimidazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
SMILESCn1ccnc1C1CCC(N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C24H30F3N7O/c1-32-10-9-28-23(32)15-3-6-18(7-4-15)34-13-17(14-34)30-21(35)12-29-22-19-11-16(24(25,26)27)5-8-20(19)33(2)31-22/h5,8-11,15,17-18H,3-4,6-7,12-14H2,1-2H3,(H,29,31)(H,30,35)
InChIKeyIHLUBBXLGBYUJB-UHFFFAOYSA-N
XLogP3.26
TPSA80.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1-methylimidazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?
The IUPAC name of N-[1-[4-(1-methylimidazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide (CID 56676473) is N-[1-[4-(1-methylimidazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide.
What is the SMILES notation for N-[1-[4-(1-methylimidazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?
The canonical SMILES for N-[1-[4-(1-methylimidazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide is Cn1ccnc1C1CCC(N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1.
What is the InChIKey of N-[1-[4-(1-methylimidazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?
The InChIKey is IHLUBBXLGBYUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N7O/c1-32-10-9-28-23(32)15-3-6-18(7-4-15)34-13-17(14-34)30-21(35)12-29-22-19-11-16(24(25,26)27)5-8-20(19)33(2)31-22/h5,8-11,15,17-18H,3-4,6-7,12-14H2,1-2H3,(H,29,31)(H,30,35).
What are the key properties of N-[1-[4-(1-methylimidazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?
N-[1-[4-(1-methylimidazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide has a molecular weight of 489.55 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1-methylimidazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide is sourced from PubChem (CID 56676473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).