4-[(2S,6R)-2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile

C21H28N6O — CID 146443983

IUPAC4-[(2S,6R)-2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)n3nccc23)C[C@H](CN2CC3(CCNCC3)C2)O1
InChIInChI=1S/C21H28N6O/c1-16-11-26(19-3-2-17(10-22)27-20(19)4-7-24-27)13-18(28-16)12-25-14-21(15-25)5-8-23-9-6-21/h2-4,7,16,18,23H,5-6,8-9,11-15H2,1H3/t16-,18+/m1/s1
InChIKeyIVIKVLWSLZITMZ-AEFFLSMTSA-N
MW380.50 g/mol
LogP1.49
Rot. Bonds3

About 4-[(2S,6R)-2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile

4-[(2S,6R)-2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (PubChem CID 146443983) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 4-[(2S,6R)-2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name4-[(2S,6R)-2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
PubChem CID146443983
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name4-[(2S,6R)-2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)n3nccc23)C[C@H](CN2CC3(CCNCC3)C2)O1
InChIInChI=1S/C21H28N6O/c1-16-11-26(19-3-2-17(10-22)27-20(19)4-7-24-27)13-18(28-16)12-25-14-21(15-25)5-8-23-9-6-21/h2-4,7,16,18,23H,5-6,8-9,11-15H2,1H3/t16-,18+/m1/s1
InChIKeyIVIKVLWSLZITMZ-AEFFLSMTSA-N
XLogP1.49
TPSA68.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 51.49
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-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The IUPAC name of 4-[(2S,6R)-2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (CID 146443983) is 4-[(2S,6R)-2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile.
What is the SMILES notation for 4-[(2S,6R)-2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The canonical SMILES for 4-[(2S,6R)-2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile is C[C@@H]1CN(c2ccc(C#N)n3nccc23)C[C@H](CN2CC3(CCNCC3)C2)O1.
What is the InChIKey of 4-[(2S,6R)-2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The InChIKey is IVIKVLWSLZITMZ-AEFFLSMTSA-N. The full InChI is InChI=1S/C21H28N6O/c1-16-11-26(19-3-2-17(10-22)27-20(19)4-7-24-27)13-18(28-16)12-25-14-21(15-25)5-8-23-9-6-21/h2-4,7,16,18,23H,5-6,8-9,11-15H2,1H3/t16-,18+/m1/s1.
What are the key properties of 4-[(2S,6R)-2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
4-[(2S,6R)-2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 380.50 g/mol, XLogP of 1.49, 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-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 146443983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).