6-(difluoromethyl)-8-N-(1,4-dimethylpyrazol-3-yl)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine

C19H24F2N8O2S — CID 169075922

IUPAC6-(difluoromethyl)-8-N-(1,4-dimethylpyrazol-3-yl)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCc1cn(C)nc1Nc1nc(C(F)F)cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc12
InChIInChI=1S/C19H24F2N8O2S/c1-11-10-28(2)27-17(11)26-18-15-12(8-14(24-18)16(20)21)9-22-19(25-15)23-13-4-6-29(7-5-13)32(3,30)31/h8-10,13,16H,4-7H2,1-3H3,(H,22,23,25)(H,24,26,27)
InChIKeyIFYFSFOYHMKQFI-UHFFFAOYSA-N
MW466.52 g/mol
LogP2.58
Rot. Bonds6

About 6-(difluoromethyl)-8-N-(1,4-dimethylpyrazol-3-yl)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine

6-(difluoromethyl)-8-N-(1,4-dimethylpyrazol-3-yl)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine (PubChem CID 169075922) has the molecular formula C19H24F2N8O2S and a molecular weight of 466.52 g/mol. Its IUPAC name is 6-(difluoromethyl)-8-N-(1,4-dimethylpyrazol-3-yl)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine.

Molecular Properties

Compound Name6-(difluoromethyl)-8-N-(1,4-dimethylpyrazol-3-yl)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
PubChem CID169075922
Molecular FormulaC19H24F2N8O2S
Molecular Weight466.52 g/mol
Exact Mass466.17
IUPAC Name6-(difluoromethyl)-8-N-(1,4-dimethylpyrazol-3-yl)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCc1cn(C)nc1Nc1nc(C(F)F)cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc12
InChIInChI=1S/C19H24F2N8O2S/c1-11-10-28(2)27-17(11)26-18-15-12(8-14(24-18)16(20)21)9-22-19(25-15)23-13-4-6-29(7-5-13)32(3,30)31/h8-10,13,16H,4-7H2,1-3H3,(H,22,23,25)(H,24,26,27)
InChIKeyIFYFSFOYHMKQFI-UHFFFAOYSA-N
XLogP2.58
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-(difluoromethyl)-8-N-(1,4-dimethylpyrazol-3-yl)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine 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-(difluoromethyl)-8-N-(1,4-dimethylpyrazol-3-yl)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine?
The IUPAC name of 6-(difluoromethyl)-8-N-(1,4-dimethylpyrazol-3-yl)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine (CID 169075922) is 6-(difluoromethyl)-8-N-(1,4-dimethylpyrazol-3-yl)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine.
What is the SMILES notation for 6-(difluoromethyl)-8-N-(1,4-dimethylpyrazol-3-yl)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine?
The canonical SMILES for 6-(difluoromethyl)-8-N-(1,4-dimethylpyrazol-3-yl)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine is Cc1cn(C)nc1Nc1nc(C(F)F)cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc12.
What is the InChIKey of 6-(difluoromethyl)-8-N-(1,4-dimethylpyrazol-3-yl)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine?
The InChIKey is IFYFSFOYHMKQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N8O2S/c1-11-10-28(2)27-17(11)26-18-15-12(8-14(24-18)16(20)21)9-22-19(25-15)23-13-4-6-29(7-5-13)32(3,30)31/h8-10,13,16H,4-7H2,1-3H3,(H,22,23,25)(H,24,26,27).
What are the key properties of 6-(difluoromethyl)-8-N-(1,4-dimethylpyrazol-3-yl)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine?
6-(difluoromethyl)-8-N-(1,4-dimethylpyrazol-3-yl)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine has a molecular weight of 466.52 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-8-N-(1,4-dimethylpyrazol-3-yl)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine is sourced from PubChem (CID 169075922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).