[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C21H20F3N7O — CID 90445423

IUPAC[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)n1
InChIInChI=1S/C21H20F3N7O/c1-12-2-5-17(31-26-8-9-27-31)19(28-12)20(32)30-14-4-6-16(30)15(10-14)29-18-7-3-13(11-25-18)21(22,23)24/h2-3,5,7-9,11,14-16H,4,6,10H2,1H3,(H,25,29)
InChIKeyZIVMVPNFNDQFRD-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.24
Rot. Bonds4

About [6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 90445423) has the molecular formula C21H20F3N7O and a molecular weight of 443.43 g/mol. Its IUPAC name is [6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID90445423
Molecular FormulaC21H20F3N7O
Molecular Weight443.43 g/mol
Exact Mass443.17
IUPAC Name[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)n1
InChIInChI=1S/C21H20F3N7O/c1-12-2-5-17(31-26-8-9-27-31)19(28-12)20(32)30-14-4-6-16(30)15(10-14)29-18-7-3-13(11-25-18)21(22,23)24/h2-3,5,7-9,11,14-16H,4,6,10H2,1H3,(H,25,29)
InChIKeyZIVMVPNFNDQFRD-UHFFFAOYSA-N
XLogP3.24
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-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 [6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of [6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 90445423) is [6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for [6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for [6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)n1.
What is the InChIKey of [6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is ZIVMVPNFNDQFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O/c1-12-2-5-17(31-26-8-9-27-31)19(28-12)20(32)30-14-4-6-16(30)15(10-14)29-18-7-3-13(11-25-18)21(22,23)24/h2-3,5,7-9,11,14-16H,4,6,10H2,1H3,(H,25,29).
What are the key properties of [6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 443.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 90445423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).