[4-[[4-[4-(difluoromethoxy)benzotriazol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

C24H26F2N10O2 — CID 54755755

IUPAC[4-[[4-[4-(difluoromethoxy)benzotriazol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCc1nnc2n1CCN(C(=O)C1CCC(Nc3nccc(-n4nnc5c(OC(F)F)cccc54)n3)CC1)C2
InChIInChI=1S/C24H26F2N10O2/c1-14-30-31-20-13-34(11-12-35(14)20)22(37)15-5-7-16(8-6-15)28-24-27-10-9-19(29-24)36-17-3-2-4-18(38-23(25)26)21(17)32-33-36/h2-4,9-10,15-16,23H,5-8,11-13H2,1H3,(H,27,28,29)
InChIKeyICVCLQCJAOBCJX-UHFFFAOYSA-N
MW524.54 g/mol
LogP2.72
Rot. Bonds6

About [4-[[4-[4-(difluoromethoxy)benzotriazol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

[4-[[4-[4-(difluoromethoxy)benzotriazol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 54755755) has the molecular formula C24H26F2N10O2 and a molecular weight of 524.54 g/mol. Its IUPAC name is [4-[[4-[4-(difluoromethoxy)benzotriazol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name[4-[[4-[4-(difluoromethoxy)benzotriazol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID54755755
Molecular FormulaC24H26F2N10O2
Molecular Weight524.54 g/mol
Exact Mass524.22
IUPAC Name[4-[[4-[4-(difluoromethoxy)benzotriazol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCc1nnc2n1CCN(C(=O)C1CCC(Nc3nccc(-n4nnc5c(OC(F)F)cccc54)n3)CC1)C2
InChIInChI=1S/C24H26F2N10O2/c1-14-30-31-20-13-34(11-12-35(14)20)22(37)15-5-7-16(8-6-15)28-24-27-10-9-19(29-24)36-17-3-2-4-18(38-23(25)26)21(17)32-33-36/h2-4,9-10,15-16,23H,5-8,11-13H2,1H3,(H,27,28,29)
InChIKeyICVCLQCJAOBCJX-UHFFFAOYSA-N
XLogP2.72
TPSA128.77 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.54
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze [4-[[4-[4-(difluoromethoxy)benzotriazol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[4-(difluoromethoxy)benzotriazol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of [4-[[4-[4-(difluoromethoxy)benzotriazol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 54755755) is [4-[[4-[4-(difluoromethoxy)benzotriazol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for [4-[[4-[4-(difluoromethoxy)benzotriazol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for [4-[[4-[4-(difluoromethoxy)benzotriazol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is Cc1nnc2n1CCN(C(=O)C1CCC(Nc3nccc(-n4nnc5c(OC(F)F)cccc54)n3)CC1)C2.
What is the InChIKey of [4-[[4-[4-(difluoromethoxy)benzotriazol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is ICVCLQCJAOBCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N10O2/c1-14-30-31-20-13-34(11-12-35(14)20)22(37)15-5-7-16(8-6-15)28-24-27-10-9-19(29-24)36-17-3-2-4-18(38-23(25)26)21(17)32-33-36/h2-4,9-10,15-16,23H,5-8,11-13H2,1H3,(H,27,28,29).
What are the key properties of [4-[[4-[4-(difluoromethoxy)benzotriazol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
[4-[[4-[4-(difluoromethoxy)benzotriazol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 524.54 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[4-(difluoromethoxy)benzotriazol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 54755755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).