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

C18H20F3N5O — CID 44624180

IUPAC4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
SMILESCC(C)CC(O)CNc1ccc(C(F)(F)F)c(-c2[nH]nc3ncccc23)n1
InChIInChI=1S/C18H20F3N5O/c1-10(2)8-11(27)9-23-14-6-5-13(18(19,20)21)16(24-14)15-12-4-3-7-22-17(12)26-25-15/h3-7,10-11,27H,8-9H2,1-2H3,(H,23,24)(H,22,25,26)
InChIKeyKOLPTFYBTWLVTA-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.86
Rot. Bonds6

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

4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol (PubChem CID 44624180) has the molecular formula C18H20F3N5O and a molecular weight of 379.39 g/mol. Its IUPAC name is 4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
PubChem CID44624180
Molecular FormulaC18H20F3N5O
Molecular Weight379.39 g/mol
Exact Mass379.16
IUPAC Name4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
SMILESCC(C)CC(O)CNc1ccc(C(F)(F)F)c(-c2[nH]nc3ncccc23)n1
InChIInChI=1S/C18H20F3N5O/c1-10(2)8-11(27)9-23-14-6-5-13(18(19,20)21)16(24-14)15-12-4-3-7-22-17(12)26-25-15/h3-7,10-11,27H,8-9H2,1-2H3,(H,23,24)(H,22,25,26)
InChIKeyKOLPTFYBTWLVTA-UHFFFAOYSA-N
XLogP3.86
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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]amino]pentan-2-ol?
The IUPAC name of 4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol (CID 44624180) is 4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol.
What is the SMILES notation for 4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol?
The canonical SMILES for 4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol is CC(C)CC(O)CNc1ccc(C(F)(F)F)c(-c2[nH]nc3ncccc23)n1.
What is the InChIKey of 4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol?
The InChIKey is KOLPTFYBTWLVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O/c1-10(2)8-11(27)9-23-14-6-5-13(18(19,20)21)16(24-14)15-12-4-3-7-22-17(12)26-25-15/h3-7,10-11,27H,8-9H2,1-2H3,(H,23,24)(H,22,25,26).
What are the key properties of 4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol?
4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol has a molecular weight of 379.39 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 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]amino]pentan-2-ol is sourced from PubChem (CID 44624180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).