4-[(2S,6R)-2-[(4-amino-3,3-difluoropiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile

C19H24F2N6O — CID 146443976

IUPAC4-[(2S,6R)-2-[(4-amino-3,3-difluoropiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)n3nccc23)C[C@H](CN2CCC(N)C(F)(F)C2)O1
InChIInChI=1S/C19H24F2N6O/c1-13-9-26(16-3-2-14(8-22)27-17(16)4-6-24-27)11-15(28-13)10-25-7-5-18(23)19(20,21)12-25/h2-4,6,13,15,18H,5,7,9-12,23H2,1H3/t13-,15+,18?/m1/s1
InChIKeyJOUMCYOQNQDJTP-PWXCZCIESA-N
MW390.44 g/mol
LogP1.47
Rot. Bonds3

About 4-[(2S,6R)-2-[(4-amino-3,3-difluoropiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile

4-[(2S,6R)-2-[(4-amino-3,3-difluoropiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (PubChem CID 146443976) has the molecular formula C19H24F2N6O and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-[(2S,6R)-2-[(4-amino-3,3-difluoropiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name4-[(2S,6R)-2-[(4-amino-3,3-difluoropiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
PubChem CID146443976
Molecular FormulaC19H24F2N6O
Molecular Weight390.44 g/mol
Exact Mass390.20
IUPAC Name4-[(2S,6R)-2-[(4-amino-3,3-difluoropiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)n3nccc23)C[C@H](CN2CCC(N)C(F)(F)C2)O1
InChIInChI=1S/C19H24F2N6O/c1-13-9-26(16-3-2-14(8-22)27-17(16)4-6-24-27)11-15(28-13)10-25-7-5-18(23)19(20,21)12-25/h2-4,6,13,15,18H,5,7,9-12,23H2,1H3/t13-,15+,18?/m1/s1
InChIKeyJOUMCYOQNQDJTP-PWXCZCIESA-N
XLogP1.47
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2-[(4-amino-3,3-difluoropiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The IUPAC name of 4-[(2S,6R)-2-[(4-amino-3,3-difluoropiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (CID 146443976) is 4-[(2S,6R)-2-[(4-amino-3,3-difluoropiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile.
What is the SMILES notation for 4-[(2S,6R)-2-[(4-amino-3,3-difluoropiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The canonical SMILES for 4-[(2S,6R)-2-[(4-amino-3,3-difluoropiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile is C[C@@H]1CN(c2ccc(C#N)n3nccc23)C[C@H](CN2CCC(N)C(F)(F)C2)O1.
What is the InChIKey of 4-[(2S,6R)-2-[(4-amino-3,3-difluoropiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The InChIKey is JOUMCYOQNQDJTP-PWXCZCIESA-N. The full InChI is InChI=1S/C19H24F2N6O/c1-13-9-26(16-3-2-14(8-22)27-17(16)4-6-24-27)11-15(28-13)10-25-7-5-18(23)19(20,21)12-25/h2-4,6,13,15,18H,5,7,9-12,23H2,1H3/t13-,15+,18?/m1/s1.
What are the key properties of 4-[(2S,6R)-2-[(4-amino-3,3-difluoropiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
4-[(2S,6R)-2-[(4-amino-3,3-difluoropiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 390.44 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-2-[(4-amino-3,3-difluoropiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 146443976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).