N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide

C22H30F3N5O — CID 54755193

IUPACN-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide
SMILESCC(C)C1CCC(N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C22H30F3N5O/c1-13(2)14-3-6-17(7-4-14)30-11-16(12-30)27-20(31)10-26-21-18-9-15(22(23,24)25)5-8-19(18)28-29-21/h5,8-9,13-14,16-17H,3-4,6-7,10-12H2,1-2H3,(H,27,31)(H2,26,28,29)
InChIKeyALAVGBJMBKWLAD-UHFFFAOYSA-N
MW437.51 g/mol
LogP4.01
Rot. Bonds6

About N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide

N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide (PubChem CID 54755193) has the molecular formula C22H30F3N5O and a molecular weight of 437.51 g/mol. Its IUPAC name is N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide
PubChem CID54755193
Molecular FormulaC22H30F3N5O
Molecular Weight437.51 g/mol
Exact Mass437.24
IUPAC NameN-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide
SMILESCC(C)C1CCC(N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C22H30F3N5O/c1-13(2)14-3-6-17(7-4-14)30-11-16(12-30)27-20(31)10-26-21-18-9-15(22(23,24)25)5-8-19(18)28-29-21/h5,8-9,13-14,16-17H,3-4,6-7,10-12H2,1-2H3,(H,27,31)(H2,26,28,29)
InChIKeyALAVGBJMBKWLAD-UHFFFAOYSA-N
XLogP4.01
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide?
The IUPAC name of N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide (CID 54755193) is N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide.
What is the SMILES notation for N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide?
The canonical SMILES for N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide is CC(C)C1CCC(N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1.
What is the InChIKey of N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide?
The InChIKey is ALAVGBJMBKWLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F3N5O/c1-13(2)14-3-6-17(7-4-14)30-11-16(12-30)27-20(31)10-26-21-18-9-15(22(23,24)25)5-8-19(18)28-29-21/h5,8-9,13-14,16-17H,3-4,6-7,10-12H2,1-2H3,(H,27,31)(H2,26,28,29).
What are the key properties of N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide?
N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide has a molecular weight of 437.51 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide is sourced from PubChem (CID 54755193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).