6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one

C21H22F2N6O2 — CID 68587729

IUPAC6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cc(Nc3nc4ccnc(C(F)(F)C5CCOCC5)n4n3)ccc21
InChIInChI=1S/C21H22F2N6O2/c1-20(2)14-4-3-13(11-15(14)26-18(20)30)25-19-27-16-5-8-24-17(29(16)28-19)21(22,23)12-6-9-31-10-7-12/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyIXVCEXLHPGANLB-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.62
Rot. Bonds4

About 6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one

6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one (PubChem CID 68587729) has the molecular formula C21H22F2N6O2 and a molecular weight of 428.44 g/mol. Its IUPAC name is 6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one
PubChem CID68587729
Molecular FormulaC21H22F2N6O2
Molecular Weight428.44 g/mol
Exact Mass428.18
IUPAC Name6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cc(Nc3nc4ccnc(C(F)(F)C5CCOCC5)n4n3)ccc21
InChIInChI=1S/C21H22F2N6O2/c1-20(2)14-4-3-13(11-15(14)26-18(20)30)25-19-27-16-5-8-24-17(29(16)28-19)21(22,23)12-6-9-31-10-7-12/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyIXVCEXLHPGANLB-UHFFFAOYSA-N
XLogP3.62
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one 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-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one (CID 68587729) is 6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2cc(Nc3nc4ccnc(C(F)(F)C5CCOCC5)n4n3)ccc21.
What is the InChIKey of 6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is IXVCEXLHPGANLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N6O2/c1-20(2)14-4-3-13(11-15(14)26-18(20)30)25-19-27-16-5-8-24-17(29(16)28-19)21(22,23)12-6-9-31-10-7-12/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H,25,28)(H,26,30).
What are the key properties of 6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one?
6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 428.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 68587729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).