1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine

C19H21F2N9 — CID 155365171

IUPAC1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCN(C)CC3(F)F)c2n1
InChIInChI=1S/C19H21F2N9/c1-11-6-16-23-10-24-29(16)8-14(11)25-18-22-7-13-12(2)27-30(17(13)26-18)15-4-5-28(3)9-19(15,20)21/h6-8,10,15H,4-5,9H2,1-3H3,(H,22,25,26)
InChIKeyAAWHJIUKBJJIPV-UHFFFAOYSA-N
MW413.44 g/mol
LogP2.74
Rot. Bonds3

About 1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine

1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 155365171) has the molecular formula C19H21F2N9 and a molecular weight of 413.44 g/mol. Its IUPAC name is 1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID155365171
Molecular FormulaC19H21F2N9
Molecular Weight413.44 g/mol
Exact Mass413.19
IUPAC Name1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCN(C)CC3(F)F)c2n1
InChIInChI=1S/C19H21F2N9/c1-11-6-16-23-10-24-29(16)8-14(11)25-18-22-7-13-12(2)27-30(17(13)26-18)15-4-5-28(3)9-19(15,20)21/h6-8,10,15H,4-5,9H2,1-3H3,(H,22,25,26)
InChIKeyAAWHJIUKBJJIPV-UHFFFAOYSA-N
XLogP2.74
TPSA89.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine (CID 155365171) is 1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine is Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCN(C)CC3(F)F)c2n1.
What is the InChIKey of 1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is AAWHJIUKBJJIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N9/c1-11-6-16-23-10-24-29(16)8-14(11)25-18-22-7-13-12(2)27-30(17(13)26-18)15-4-5-28(3)9-19(15,20)21/h6-8,10,15H,4-5,9H2,1-3H3,(H,22,25,26).
What are the key properties of 1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 413.44 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 155365171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).