N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;N-[6-[4-(4-cyanocyclohexyl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;4-[3-[4-[2-(1,1-dioxothian-4-yl)oxyethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile

C127H132N24O11S3 — CID 159988772

IUPACN-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;N-[6-[4-(4-cyanocyclohexyl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;4-[3-[4-[2-(1,1-dioxothian-4-yl)oxyethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile
SMILESCCCS(=O)(=O)Nc1ccc2cc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)ccc2c1.CCCS(=O)(=O)Nc1ccc2cc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)ccc2c1.Cn1cc(-c2ccc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)cc2)cn1.N#CC1CC=C(c2nccn3ncc(-c4ccc(OCCOC5CCS(=O)(=O)CC5)cc4)c23)CC1.N#CC1CCC(c2nccn3ncc(-c4ccc(OCCOC5CCOCC5)cc4)c23)CC1
InChIInChI=1S/C26H27N5O2S.C26H25N5O2S.C26H28N4O4S.C26H30N4O3.C23H22N6/c2*1-2-13-34(32,33)30-23-10-9-20-14-22(8-7-21(20)15-23)24-17-29-31-12-11-28-25(26(24)31)19-5-3-18(16-27)4-6-19;27-17-19-1-3-21(4-2-19)25-26-24(18-29-30(26)12-11-28-25)20-5-7-22(8-6-20)33-13-14-34-23-9-15-35(31,32)16-10-23;27-17-19-1-3-21(4-2-19)25-26-24(18-29-30(26)12-11-28-25)20-5-7-22(8-6-20)32-15-16-33-23-9-13-31-14-10-23;1-28-15-20(13-26-28)17-6-8-18(9-7-17)21-14-27-29-11-10-25-22(23(21)29)19-4-2-16(12-24)3-5-19/h7-12,14-15,17-19,30H,2-6,13H2,1H3;5,7-12,14-15,17-18,30H,2-4,6,13H2,1H3;3,5-8,11-12,18-19,23H,1-2,4,9-10,13-16H2;5-8,11-12,18-19,21,23H,1-4,9-10,13-16H2;6-11,13-16,19H,2-5H2,1H3
InChIKeyOGRDCWUMXJCXOT-UHFFFAOYSA-N
MW2266.81 g/mol
LogP24.35
Rot. Bonds29

About N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;N-[6-[4-(4-cyanocyclohexyl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;4-[3-[4-[2-(1,1-dioxothian-4-yl)oxyethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile

N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;N-[6-[4-(4-cyanocyclohexyl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;4-[3-[4-[2-(1,1-dioxothian-4-yl)oxyethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile (PubChem CID 159988772) has the molecular formula C127H132N24O11S3 and a molecular weight of 2266.81 g/mol. Its IUPAC name is N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;N-[6-[4-(4-cyanocyclohexyl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;4-[3-[4-[2-(1,1-dioxothian-4-yl)oxyethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound NameN-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;N-[6-[4-(4-cyanocyclohexyl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;4-[3-[4-[2-(1,1-dioxothian-4-yl)oxyethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile
PubChem CID159988772
Molecular FormulaC127H132N24O11S3
Molecular Weight2266.81 g/mol
Exact Mass2264.97
IUPAC NameN-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;N-[6-[4-(4-cyanocyclohexyl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;4-[3-[4-[2-(1,1-dioxothian-4-yl)oxyethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile
SMILESCCCS(=O)(=O)Nc1ccc2cc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)ccc2c1.CCCS(=O)(=O)Nc1ccc2cc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)ccc2c1.Cn1cc(-c2ccc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)cc2)cn1.N#CC1CC=C(c2nccn3ncc(-c4ccc(OCCOC5CCS(=O)(=O)CC5)cc4)c23)CC1.N#CC1CCC(c2nccn3ncc(-c4ccc(OCCOC5CCOCC5)cc4)c23)CC1
InChIInChI=1S/C26H27N5O2S.C26H25N5O2S.C26H28N4O4S.C26H30N4O3.C23H22N6/c2*1-2-13-34(32,33)30-23-10-9-20-14-22(8-7-21(20)15-23)24-17-29-31-12-11-28-25(26(24)31)19-5-3-18(16-27)4-6-19;27-17-19-1-3-21(4-2-19)25-26-24(18-29-30(26)12-11-28-25)20-5-7-22(8-6-20)33-13-14-34-23-9-15-35(31,32)16-10-23;27-17-19-1-3-21(4-2-19)25-26-24(18-29-30(26)12-11-28-25)20-5-7-22(8-6-20)32-15-16-33-23-9-13-31-14-10-23;1-28-15-20(13-26-28)17-6-8-18(9-7-17)21-14-27-29-11-10-25-22(23(21)29)19-4-2-16(12-24)3-5-19/h7-12,14-15,17-19,30H,2-6,13H2,1H3;5,7-12,14-15,17-18,30H,2-4,6,13H2,1H3;3,5-8,11-12,18-19,23H,1-2,4,9-10,13-16H2;5-8,11-12,18-19,21,23H,1-4,9-10,13-16H2;6-11,13-16,19H,2-5H2,1H3
InChIKeyOGRDCWUMXJCXOT-UHFFFAOYSA-N
XLogP24.35
TPSA460.35 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds29
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002266.81
LogP ≤ 524.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;N-[6-[4-(4-cyanocyclohexyl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;4-[3-[4-[2-(1,1-dioxothian-4-yl)oxyethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile with MolForge

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Related Compounds

N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]methanesulfonamide;4-[3-(2-methoxyquinolin-7-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;8-[3-(2-methoxyquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;8-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;8-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;8-[3-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 160766503

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;N-[6-[4-(4-cyanocyclohexyl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;4-[3-[4-[2-(1,1-dioxothian-4-yl)oxyethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile?
The IUPAC name of N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;N-[6-[4-(4-cyanocyclohexyl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;4-[3-[4-[2-(1,1-dioxothian-4-yl)oxyethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile (CID 159988772) is N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;N-[6-[4-(4-cyanocyclohexyl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;4-[3-[4-[2-(1,1-dioxothian-4-yl)oxyethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile.
What is the SMILES notation for N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;N-[6-[4-(4-cyanocyclohexyl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;4-[3-[4-[2-(1,1-dioxothian-4-yl)oxyethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile?
The canonical SMILES for N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;N-[6-[4-(4-cyanocyclohexyl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;4-[3-[4-[2-(1,1-dioxothian-4-yl)oxyethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile is CCCS(=O)(=O)Nc1ccc2cc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)ccc2c1.CCCS(=O)(=O)Nc1ccc2cc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)ccc2c1.Cn1cc(-c2ccc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)cc2)cn1.N#CC1CC=C(c2nccn3ncc(-c4ccc(OCCOC5CCS(=O)(=O)CC5)cc4)c23)CC1.N#CC1CCC(c2nccn3ncc(-c4ccc(OCCOC5CCOCC5)cc4)c23)CC1.
What is the InChIKey of N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;N-[6-[4-(4-cyanocyclohexyl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;4-[3-[4-[2-(1,1-dioxothian-4-yl)oxyethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile?
The InChIKey is OGRDCWUMXJCXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2S.C26H25N5O2S.C26H28N4O4S.C26H30N4O3.C23H22N6/c2*1-2-13-34(32,33)30-23-10-9-20-14-22(8-7-21(20)15-23)24-17-29-31-12-11-28-25(26(24)31)19-5-3-18(16-27)4-6-19;27-17-19-1-3-21(4-2-19)25-26-24(18-29-30(26)12-11-28-25)20-5-7-22(8-6-20)33-13-14-34-23-9-15-35(31,32)16-10-23;27-17-19-1-3-21(4-2-19)25-26-24(18-29-30(26)12-11-28-25)20-5-7-22(8-6-20)32-15-16-33-23-9-13-31-14-10-23;1-28-15-20(13-26-28)17-6-8-18(9-7-17)21-14-27-29-11-10-25-22(23(21)29)19-4-2-16(12-24)3-5-19/h7-12,14-15,17-19,30H,2-6,13H2,1H3;5,7-12,14-15,17-18,30H,2-4,6,13H2,1H3;3,5-8,11-12,18-19,23H,1-2,4,9-10,13-16H2;5-8,11-12,18-19,21,23H,1-4,9-10,13-16H2;6-11,13-16,19H,2-5H2,1H3.
What are the key properties of N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;N-[6-[4-(4-cyanocyclohexyl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;4-[3-[4-[2-(1,1-dioxothian-4-yl)oxyethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile?
N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;N-[6-[4-(4-cyanocyclohexyl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;4-[3-[4-[2-(1,1-dioxothian-4-yl)oxyethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile has a molecular weight of 2266.81 g/mol, XLogP of 24.35, 29 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;N-[6-[4-(4-cyanocyclohexyl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]propane-1-sulfonamide;4-[3-[4-[2-(1,1-dioxothian-4-yl)oxyethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 159988772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).