4-[(2S,6R)-2-(3,7-diazabicyclo[4.2.0]octan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile

C20H26N6O — CID 146443996

IUPAC4-[(2S,6R)-2-(3,7-diazabicyclo[4.2.0]octan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)n3nccc23)C[C@H](CN2CCC3NCC3C2)O1
InChIInChI=1S/C20H26N6O/c1-14-10-25(19-3-2-16(8-21)26-20(19)4-6-23-26)13-17(27-14)12-24-7-5-18-15(11-24)9-22-18/h2-4,6,14-15,17-18,22H,5,7,9-13H2,1H3/t14-,15?,17+,18?/m1/s1
InChIKeyDYCZSUFAOMNEAI-JOKDJRIQSA-N
MW366.47 g/mol
LogP1.09
Rot. Bonds3

About 4-[(2S,6R)-2-(3,7-diazabicyclo[4.2.0]octan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile

4-[(2S,6R)-2-(3,7-diazabicyclo[4.2.0]octan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (PubChem CID 146443996) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-[(2S,6R)-2-(3,7-diazabicyclo[4.2.0]octan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name4-[(2S,6R)-2-(3,7-diazabicyclo[4.2.0]octan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
PubChem CID146443996
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name4-[(2S,6R)-2-(3,7-diazabicyclo[4.2.0]octan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)n3nccc23)C[C@H](CN2CCC3NCC3C2)O1
InChIInChI=1S/C20H26N6O/c1-14-10-25(19-3-2-16(8-21)26-20(19)4-6-23-26)13-17(27-14)12-24-7-5-18-15(11-24)9-22-18/h2-4,6,14-15,17-18,22H,5,7,9-13H2,1H3/t14-,15?,17+,18?/m1/s1
InChIKeyDYCZSUFAOMNEAI-JOKDJRIQSA-N
XLogP1.09
TPSA68.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(2S,6R)-2-(3,7-diazabicyclo[4.2.0]octan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2-(3,7-diazabicyclo[4.2.0]octan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The IUPAC name of 4-[(2S,6R)-2-(3,7-diazabicyclo[4.2.0]octan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (CID 146443996) is 4-[(2S,6R)-2-(3,7-diazabicyclo[4.2.0]octan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile.
What is the SMILES notation for 4-[(2S,6R)-2-(3,7-diazabicyclo[4.2.0]octan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The canonical SMILES for 4-[(2S,6R)-2-(3,7-diazabicyclo[4.2.0]octan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile is C[C@@H]1CN(c2ccc(C#N)n3nccc23)C[C@H](CN2CCC3NCC3C2)O1.
What is the InChIKey of 4-[(2S,6R)-2-(3,7-diazabicyclo[4.2.0]octan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The InChIKey is DYCZSUFAOMNEAI-JOKDJRIQSA-N. The full InChI is InChI=1S/C20H26N6O/c1-14-10-25(19-3-2-16(8-21)26-20(19)4-6-23-26)13-17(27-14)12-24-7-5-18-15(11-24)9-22-18/h2-4,6,14-15,17-18,22H,5,7,9-13H2,1H3/t14-,15?,17+,18?/m1/s1.
What are the key properties of 4-[(2S,6R)-2-(3,7-diazabicyclo[4.2.0]octan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
4-[(2S,6R)-2-(3,7-diazabicyclo[4.2.0]octan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 366.47 g/mol, XLogP of 1.09, 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-(3,7-diazabicyclo[4.2.0]octan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 146443996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).