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

C25H30N6O — CID 146443997

IUPAC4-[(2S,6R)-2-[(2-benzylpiperazin-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](CN2CCNCC2Cc2ccccc2)O1
InChIInChI=1S/C25H30N6O/c1-19-16-30(24-8-7-21(14-26)31-25(24)9-10-28-31)18-23(32-19)17-29-12-11-27-15-22(29)13-20-5-3-2-4-6-20/h2-10,19,22-23,27H,11-13,15-18H2,1H3/t19-,22?,23+/m1/s1
InChIKeyHWIHTDHFIAESSC-QREQTRJTSA-N
MW430.56 g/mol
LogP2.32
Rot. Bonds5

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

4-[(2S,6R)-2-[(2-benzylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (PubChem CID 146443997) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 4-[(2S,6R)-2-[(2-benzylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name4-[(2S,6R)-2-[(2-benzylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
PubChem CID146443997
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name4-[(2S,6R)-2-[(2-benzylpiperazin-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](CN2CCNCC2Cc2ccccc2)O1
InChIInChI=1S/C25H30N6O/c1-19-16-30(24-8-7-21(14-26)31-25(24)9-10-28-31)18-23(32-19)17-29-12-11-27-15-22(29)13-20-5-3-2-4-6-20/h2-10,19,22-23,27H,11-13,15-18H2,1H3/t19-,22?,23+/m1/s1
InChIKeyHWIHTDHFIAESSC-QREQTRJTSA-N
XLogP2.32
TPSA68.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 52.32
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-benzylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The IUPAC name of 4-[(2S,6R)-2-[(2-benzylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (CID 146443997) is 4-[(2S,6R)-2-[(2-benzylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile.
What is the SMILES notation for 4-[(2S,6R)-2-[(2-benzylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The canonical SMILES for 4-[(2S,6R)-2-[(2-benzylpiperazin-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](CN2CCNCC2Cc2ccccc2)O1.
What is the InChIKey of 4-[(2S,6R)-2-[(2-benzylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The InChIKey is HWIHTDHFIAESSC-QREQTRJTSA-N. The full InChI is InChI=1S/C25H30N6O/c1-19-16-30(24-8-7-21(14-26)31-25(24)9-10-28-31)18-23(32-19)17-29-12-11-27-15-22(29)13-20-5-3-2-4-6-20/h2-10,19,22-23,27H,11-13,15-18H2,1H3/t19-,22?,23+/m1/s1.
What are the key properties of 4-[(2S,6R)-2-[(2-benzylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
4-[(2S,6R)-2-[(2-benzylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 430.56 g/mol, XLogP of 2.32, 5 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-benzylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 146443997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).