[2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C22H22FN7O — CID 126745720

IUPAC[2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCc1cnc(-c2ncc(F)cn2)c(C(=O)N2CC3CC(Nc4cnc(C)cn4)C2C3)c1
InChIInChI=1S/C22H22FN7O/c1-12-3-16(20(26-6-12)21-27-8-15(23)9-28-21)22(31)30-11-14-4-17(18(30)5-14)29-19-10-24-13(2)7-25-19/h3,6-10,14,17-18H,4-5,11H2,1-2H3,(H,25,29)
InChIKeyBRYKPUUJPVQORF-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.80
Rot. Bonds4

About [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

[2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 126745720) has the molecular formula C22H22FN7O and a molecular weight of 419.46 g/mol. Its IUPAC name is [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Name[2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID126745720
Molecular FormulaC22H22FN7O
Molecular Weight419.46 g/mol
Exact Mass419.19
IUPAC Name[2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCc1cnc(-c2ncc(F)cn2)c(C(=O)N2CC3CC(Nc4cnc(C)cn4)C2C3)c1
InChIInChI=1S/C22H22FN7O/c1-12-3-16(20(26-6-12)21-27-8-15(23)9-28-21)22(31)30-11-14-4-17(18(30)5-14)29-19-10-24-13(2)7-25-19/h3,6-10,14,17-18H,4-5,11H2,1-2H3,(H,25,29)
InChIKeyBRYKPUUJPVQORF-UHFFFAOYSA-N
XLogP2.80
TPSA96.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-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 [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 126745720) is [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is Cc1cnc(-c2ncc(F)cn2)c(C(=O)N2CC3CC(Nc4cnc(C)cn4)C2C3)c1.
What is the InChIKey of [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is BRYKPUUJPVQORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O/c1-12-3-16(20(26-6-12)21-27-8-15(23)9-28-21)22(31)30-11-14-4-17(18(30)5-14)29-19-10-24-13(2)7-25-19/h3,6-10,14,17-18H,4-5,11H2,1-2H3,(H,25,29).
What are the key properties of [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
[2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 419.46 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 126745720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).