4-[(2S,6R)-2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile

C23H32N6O — CID 146444031

IUPAC4-[(2S,6R)-2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)n3nccc23)C[C@H](CN2CCC3(CCNCC3)CC2)O1
InChIInChI=1S/C23H32N6O/c1-18-15-28(21-3-2-19(14-24)29-22(21)4-9-26-29)17-20(30-18)16-27-12-7-23(8-13-27)5-10-25-11-6-23/h2-4,9,18,20,25H,5-8,10-13,15-17H2,1H3/t18-,20+/m1/s1
InChIKeyKUBHMELGFRTNIG-QUCCMNQESA-N
MW408.55 g/mol
LogP2.27
Rot. Bonds3

About 4-[(2S,6R)-2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile

4-[(2S,6R)-2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (PubChem CID 146444031) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is 4-[(2S,6R)-2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name4-[(2S,6R)-2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
PubChem CID146444031
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name4-[(2S,6R)-2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)n3nccc23)C[C@H](CN2CCC3(CCNCC3)CC2)O1
InChIInChI=1S/C23H32N6O/c1-18-15-28(21-3-2-19(14-24)29-22(21)4-9-26-29)17-20(30-18)16-27-12-7-23(8-13-27)5-10-25-11-6-23/h2-4,9,18,20,25H,5-8,10-13,15-17H2,1H3/t18-,20+/m1/s1
InChIKeyKUBHMELGFRTNIG-QUCCMNQESA-N
XLogP2.27
TPSA68.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.27
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-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The IUPAC name of 4-[(2S,6R)-2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (CID 146444031) is 4-[(2S,6R)-2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile.
What is the SMILES notation for 4-[(2S,6R)-2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The canonical SMILES for 4-[(2S,6R)-2-(3,9-diazaspiro[5.5]undecan-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](CN2CCC3(CCNCC3)CC2)O1.
What is the InChIKey of 4-[(2S,6R)-2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The InChIKey is KUBHMELGFRTNIG-QUCCMNQESA-N. The full InChI is InChI=1S/C23H32N6O/c1-18-15-28(21-3-2-19(14-24)29-22(21)4-9-26-29)17-20(30-18)16-27-12-7-23(8-13-27)5-10-25-11-6-23/h2-4,9,18,20,25H,5-8,10-13,15-17H2,1H3/t18-,20+/m1/s1.
What are the key properties of 4-[(2S,6R)-2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
4-[(2S,6R)-2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 408.55 g/mol, XLogP of 2.27, 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-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 146444031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).