4-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

C18H19F3N6 — CID 70929989

IUPAC4-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
SMILESCC1(N)CCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC1
InChIInChI=1S/C18H19F3N6/c1-17(22)6-9-27(10-7-17)13-5-4-12(18(19,20)21)15(24-13)14-11-3-2-8-23-16(11)26-25-14/h2-5,8H,6-7,9-10,22H2,1H3,(H,23,25,26)
InChIKeyAXWXMQONHQHMFQ-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.36
Rot. Bonds2

About 4-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

4-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (PubChem CID 70929989) has the molecular formula C18H19F3N6 and a molecular weight of 376.39 g/mol. Its IUPAC name is 4-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name4-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
PubChem CID70929989
Molecular FormulaC18H19F3N6
Molecular Weight376.39 g/mol
Exact Mass376.16
IUPAC Name4-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
SMILESCC1(N)CCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC1
InChIInChI=1S/C18H19F3N6/c1-17(22)6-9-27(10-7-17)13-5-4-12(18(19,20)21)15(24-13)14-11-3-2-8-23-16(11)26-25-14/h2-5,8H,6-7,9-10,22H2,1H3,(H,23,25,26)
InChIKeyAXWXMQONHQHMFQ-UHFFFAOYSA-N
XLogP3.36
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The IUPAC name of 4-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (CID 70929989) is 4-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 4-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for 4-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is CC1(N)CCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC1.
What is the InChIKey of 4-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The InChIKey is AXWXMQONHQHMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6/c1-17(22)6-9-27(10-7-17)13-5-4-12(18(19,20)21)15(24-13)14-11-3-2-8-23-16(11)26-25-14/h2-5,8H,6-7,9-10,22H2,1H3,(H,23,25,26).
What are the key properties of 4-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
4-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine has a molecular weight of 376.39 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 70929989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).