4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile

C23H24FN5O — CID 135249333

IUPAC4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(c2nccn3ncc(-c4ccc(N5CCOCC5)c(F)c4)c23)CC1
InChIInChI=1S/C23H24FN5O/c24-20-13-18(5-6-21(20)28-9-11-30-12-10-28)19-15-27-29-8-7-26-22(23(19)29)17-3-1-16(14-25)2-4-17/h5-8,13,15-17H,1-4,9-12H2
InChIKeyVYTPDNFVCYBUDM-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.17
Rot. Bonds3

About 4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile

4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile (PubChem CID 135249333) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile
PubChem CID135249333
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(c2nccn3ncc(-c4ccc(N5CCOCC5)c(F)c4)c23)CC1
InChIInChI=1S/C23H24FN5O/c24-20-13-18(5-6-21(20)28-9-11-30-12-10-28)19-15-27-29-8-7-26-22(23(19)29)17-3-1-16(14-25)2-4-17/h5-8,13,15-17H,1-4,9-12H2
InChIKeyVYTPDNFVCYBUDM-UHFFFAOYSA-N
XLogP4.17
TPSA66.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile (CID 135249333) is 4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile is N#CC1CCC(c2nccn3ncc(-c4ccc(N5CCOCC5)c(F)c4)c23)CC1.
What is the InChIKey of 4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile?
The InChIKey is VYTPDNFVCYBUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c24-20-13-18(5-6-21(20)28-9-11-30-12-10-28)19-15-27-29-8-7-26-22(23(19)29)17-3-1-16(14-25)2-4-17/h5-8,13,15-17H,1-4,9-12H2.
What are the key properties of 4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile?
4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile has a molecular weight of 405.48 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 135249333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).