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

C23H31FN6O — CID 146444055

IUPAC4-[(2S,6R)-2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-6-methylmorpholin-4-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)n3ncc(F)c23)C[C@H](CN2CCCC3(CCNCC3)C2)O1
InChIInChI=1S/C23H31FN6O/c1-17-13-29(21-4-3-18(11-25)30-22(21)20(24)12-27-30)15-19(31-17)14-28-10-2-5-23(16-28)6-8-26-9-7-23/h3-4,12,17,19,26H,2,5-10,13-16H2,1H3/t17-,19+/m1/s1
InChIKeyNQDUSHUZWOIETE-MJGOQNOKSA-N
MW426.54 g/mol
LogP2.40
Rot. Bonds3

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

4-[(2S,6R)-2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-6-methylmorpholin-4-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile (PubChem CID 146444055) has the molecular formula C23H31FN6O and a molecular weight of 426.54 g/mol. Its IUPAC name is 4-[(2S,6R)-2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-6-methylmorpholin-4-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name4-[(2S,6R)-2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-6-methylmorpholin-4-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile
PubChem CID146444055
Molecular FormulaC23H31FN6O
Molecular Weight426.54 g/mol
Exact Mass426.25
IUPAC Name4-[(2S,6R)-2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-6-methylmorpholin-4-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)n3ncc(F)c23)C[C@H](CN2CCCC3(CCNCC3)C2)O1
InChIInChI=1S/C23H31FN6O/c1-17-13-29(21-4-3-18(11-25)30-22(21)20(24)12-27-30)15-19(31-17)14-28-10-2-5-23(16-28)6-8-26-9-7-23/h3-4,12,17,19,26H,2,5-10,13-16H2,1H3/t17-,19+/m1/s1
InChIKeyNQDUSHUZWOIETE-MJGOQNOKSA-N
XLogP2.40
TPSA68.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(2S,6R)-2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-6-methylmorpholin-4-yl]-3-fluoropyrazolo[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-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-6-methylmorpholin-4-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile?
The IUPAC name of 4-[(2S,6R)-2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-6-methylmorpholin-4-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile (CID 146444055) is 4-[(2S,6R)-2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-6-methylmorpholin-4-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile.
What is the SMILES notation for 4-[(2S,6R)-2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-6-methylmorpholin-4-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile?
The canonical SMILES for 4-[(2S,6R)-2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-6-methylmorpholin-4-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile is C[C@@H]1CN(c2ccc(C#N)n3ncc(F)c23)C[C@H](CN2CCCC3(CCNCC3)C2)O1.
What is the InChIKey of 4-[(2S,6R)-2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-6-methylmorpholin-4-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile?
The InChIKey is NQDUSHUZWOIETE-MJGOQNOKSA-N. The full InChI is InChI=1S/C23H31FN6O/c1-17-13-29(21-4-3-18(11-25)30-22(21)20(24)12-27-30)15-19(31-17)14-28-10-2-5-23(16-28)6-8-26-9-7-23/h3-4,12,17,19,26H,2,5-10,13-16H2,1H3/t17-,19+/m1/s1.
What are the key properties of 4-[(2S,6R)-2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-6-methylmorpholin-4-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile?
4-[(2S,6R)-2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-6-methylmorpholin-4-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 426.54 g/mol, XLogP of 2.40, 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-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-6-methylmorpholin-4-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 146444055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).