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

C18H22F2N6O — CID 146443988

IUPAC4-[(2S,6R)-2-[(4-amino-3,3-difluoropyrrolidin-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](CN2CC(N)C(F)(F)C2)O1
InChIInChI=1S/C18H22F2N6O/c1-12-7-25(15-3-2-13(6-21)26-16(15)4-5-23-26)9-14(27-12)8-24-10-17(22)18(19,20)11-24/h2-5,12,14,17H,7-11,22H2,1H3/t12-,14+,17?/m1/s1
InChIKeyPXKKYMAFAQVEMH-KMMYHCRNSA-N
MW376.41 g/mol
LogP1.08
Rot. Bonds3

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

4-[(2S,6R)-2-[(4-amino-3,3-difluoropyrrolidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (PubChem CID 146443988) has the molecular formula C18H22F2N6O and a molecular weight of 376.41 g/mol. Its IUPAC name is 4-[(2S,6R)-2-[(4-amino-3,3-difluoropyrrolidin-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-difluoropyrrolidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
PubChem CID146443988
Molecular FormulaC18H22F2N6O
Molecular Weight376.41 g/mol
Exact Mass376.18
IUPAC Name4-[(2S,6R)-2-[(4-amino-3,3-difluoropyrrolidin-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](CN2CC(N)C(F)(F)C2)O1
InChIInChI=1S/C18H22F2N6O/c1-12-7-25(15-3-2-13(6-21)26-16(15)4-5-23-26)9-14(27-12)8-24-10-17(22)18(19,20)11-24/h2-5,12,14,17H,7-11,22H2,1H3/t12-,14+,17?/m1/s1
InChIKeyPXKKYMAFAQVEMH-KMMYHCRNSA-N
XLogP1.08
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(2S,6R)-2-[(4-amino-3,3-difluoropyrrolidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile 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 4-[(2S,6R)-2-[(4-amino-3,3-difluoropyrrolidin-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-difluoropyrrolidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (CID 146443988) is 4-[(2S,6R)-2-[(4-amino-3,3-difluoropyrrolidin-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-difluoropyrrolidin-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-difluoropyrrolidin-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](CN2CC(N)C(F)(F)C2)O1.
What is the InChIKey of 4-[(2S,6R)-2-[(4-amino-3,3-difluoropyrrolidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The InChIKey is PXKKYMAFAQVEMH-KMMYHCRNSA-N. The full InChI is InChI=1S/C18H22F2N6O/c1-12-7-25(15-3-2-13(6-21)26-16(15)4-5-23-26)9-14(27-12)8-24-10-17(22)18(19,20)11-24/h2-5,12,14,17H,7-11,22H2,1H3/t12-,14+,17?/m1/s1.
What are the key properties of 4-[(2S,6R)-2-[(4-amino-3,3-difluoropyrrolidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
4-[(2S,6R)-2-[(4-amino-3,3-difluoropyrrolidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 376.41 g/mol, XLogP of 1.08, 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-difluoropyrrolidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 146443988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).