N-[1-[4-(2-oxo-1-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide

C24H27F3N6O2 — CID 54755083

IUPACN-[1-[4-(2-oxo-1-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide
SMILESO=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(n3ccccc3=O)CC2)C1
InChIInChI=1S/C24H27F3N6O2/c25-24(26,27)15-4-9-20-19(11-15)23(31-30-20)28-12-21(34)29-16-13-32(14-16)17-5-7-18(8-6-17)33-10-2-1-3-22(33)35/h1-4,9-11,16-18H,5-8,12-14H2,(H,29,34)(H2,28,30,31)
InChIKeyOWPZOIUERRHILB-UHFFFAOYSA-N
MW488.51 g/mol
LogP3.14
Rot. Bonds6

About N-[1-[4-(2-oxo-1-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide

N-[1-[4-(2-oxo-1-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide (PubChem CID 54755083) has the molecular formula C24H27F3N6O2 and a molecular weight of 488.51 g/mol. Its IUPAC name is N-[1-[4-(2-oxo-1-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-[1-[4-(2-oxo-1-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide
PubChem CID54755083
Molecular FormulaC24H27F3N6O2
Molecular Weight488.51 g/mol
Exact Mass488.21
IUPAC NameN-[1-[4-(2-oxo-1-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide
SMILESO=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(n3ccccc3=O)CC2)C1
InChIInChI=1S/C24H27F3N6O2/c25-24(26,27)15-4-9-20-19(11-15)23(31-30-20)28-12-21(34)29-16-13-32(14-16)17-5-7-18(8-6-17)33-10-2-1-3-22(33)35/h1-4,9-11,16-18H,5-8,12-14H2,(H,29,34)(H2,28,30,31)
InChIKeyOWPZOIUERRHILB-UHFFFAOYSA-N
XLogP3.14
TPSA95.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-oxo-1-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide?
The IUPAC name of N-[1-[4-(2-oxo-1-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide (CID 54755083) is N-[1-[4-(2-oxo-1-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide.
What is the SMILES notation for N-[1-[4-(2-oxo-1-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide?
The canonical SMILES for N-[1-[4-(2-oxo-1-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide is O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(n3ccccc3=O)CC2)C1.
What is the InChIKey of N-[1-[4-(2-oxo-1-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide?
The InChIKey is OWPZOIUERRHILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N6O2/c25-24(26,27)15-4-9-20-19(11-15)23(31-30-20)28-12-21(34)29-16-13-32(14-16)17-5-7-18(8-6-17)33-10-2-1-3-22(33)35/h1-4,9-11,16-18H,5-8,12-14H2,(H,29,34)(H2,28,30,31).
What are the key properties of N-[1-[4-(2-oxo-1-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide?
N-[1-[4-(2-oxo-1-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide has a molecular weight of 488.51 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-oxo-1-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide is sourced from PubChem (CID 54755083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).