N-[2-(5-chloropyrazin-2-yl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C71H70BClF3N23O7S — CID 165110054

IUPACN-[2-(5-chloropyrazin-2-yl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3cnc(N4C5CC6CC4CC(NC=O)(C6)C5)cn3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(B3OC(C)(C)C(C)(C)O3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(OS(=O)(=O)C(F)(F)F)c3c(C#N)cnn3c2)cn1.O=CNC12CC3CC(C1)N(c1cnc(Cl)cn1)C(C3)C2
InChIInChI=1S/C26H25N9O.C18H20BN5O2.C14H17ClN4O.C13H8F3N5O3S/c1-33-13-19(10-31-33)17-4-22(25-18(8-27)9-32-34(25)14-17)23-11-29-24(12-28-23)35-20-2-16-3-21(35)7-26(5-16,6-20)30-15-36;1-17(2)18(3,4)26-19(25-17)15-6-12(14-9-21-23(5)10-14)11-24-16(15)13(7-20)8-22-24;15-12-6-17-13(7-16-12)19-10-1-9-2-11(19)5-14(3-9,4-10)18-8-20;1-20-6-10(5-18-20)8-2-11(24-25(22,23)13(14,15)16)12-9(3-17)4-19-21(12)7-8/h4,9-16,20-21H,2-3,5-7H2,1H3,(H,30,36);6,8-11H,1-5H3;6-11H,1-5H2,(H,18,20);2,4-7H,1H3
InChIKeyZUIDCXWGGRVCRL-UHFFFAOYSA-N
MW1492.82 g/mol
LogP8.21
Rot. Bonds13

About N-[2-(5-chloropyrazin-2-yl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

N-[2-(5-chloropyrazin-2-yl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165110054) has the molecular formula C71H70BClF3N23O7S and a molecular weight of 1492.82 g/mol. Its IUPAC name is N-[2-(5-chloropyrazin-2-yl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound NameN-[2-(5-chloropyrazin-2-yl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID165110054
Molecular FormulaC71H70BClF3N23O7S
Molecular Weight1492.82 g/mol
Exact Mass1491.53
IUPAC NameN-[2-(5-chloropyrazin-2-yl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3cnc(N4C5CC6CC4CC(NC=O)(C6)C5)cn3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(B3OC(C)(C)C(C)(C)O3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(OS(=O)(=O)C(F)(F)F)c3c(C#N)cnn3c2)cn1.O=CNC12CC3CC(C1)N(c1cnc(Cl)cn1)C(C3)C2
InChIInChI=1S/C26H25N9O.C18H20BN5O2.C14H17ClN4O.C13H8F3N5O3S/c1-33-13-19(10-31-33)17-4-22(25-18(8-27)9-32-34(25)14-17)23-11-29-24(12-28-23)35-20-2-16-3-21(35)7-26(5-16,6-20)30-15-36;1-17(2)18(3,4)26-19(25-17)15-6-12(14-9-21-23(5)10-14)11-24-16(15)13(7-20)8-22-24;15-12-6-17-13(7-16-12)19-10-1-9-2-11(19)5-14(3-9,4-10)18-8-20;1-20-6-10(5-18-20)8-2-11(24-25(22,23)13(14,15)16)12-9(3-17)4-19-21(12)7-8/h4,9-16,20-21H,2-3,5-7H2,1H3,(H,30,36);6,8-11H,1-5H3;6-11H,1-5H2,(H,18,20);2,4-7H,1H3
InChIKeyZUIDCXWGGRVCRL-UHFFFAOYSA-N
XLogP8.21
TPSA354.80 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds13
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001492.82
LogP ≤ 58.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze N-[2-(5-chloropyrazin-2-yl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloropyrazin-2-yl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of N-[2-(5-chloropyrazin-2-yl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165110054) is N-[2-(5-chloropyrazin-2-yl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for N-[2-(5-chloropyrazin-2-yl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for N-[2-(5-chloropyrazin-2-yl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3cnc(N4C5CC6CC4CC(NC=O)(C6)C5)cn3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(B3OC(C)(C)C(C)(C)O3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(OS(=O)(=O)C(F)(F)F)c3c(C#N)cnn3c2)cn1.O=CNC12CC3CC(C1)N(c1cnc(Cl)cn1)C(C3)C2.
What is the InChIKey of N-[2-(5-chloropyrazin-2-yl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is ZUIDCXWGGRVCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N9O.C18H20BN5O2.C14H17ClN4O.C13H8F3N5O3S/c1-33-13-19(10-31-33)17-4-22(25-18(8-27)9-32-34(25)14-17)23-11-29-24(12-28-23)35-20-2-16-3-21(35)7-26(5-16,6-20)30-15-36;1-17(2)18(3,4)26-19(25-17)15-6-12(14-9-21-23(5)10-14)11-24-16(15)13(7-20)8-22-24;15-12-6-17-13(7-16-12)19-10-1-9-2-11(19)5-14(3-9,4-10)18-8-20;1-20-6-10(5-18-20)8-2-11(24-25(22,23)13(14,15)16)12-9(3-17)4-19-21(12)7-8/h4,9-16,20-21H,2-3,5-7H2,1H3,(H,30,36);6,8-11H,1-5H3;6-11H,1-5H2,(H,18,20);2,4-7H,1H3.
What are the key properties of N-[2-(5-chloropyrazin-2-yl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
N-[2-(5-chloropyrazin-2-yl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1492.82 g/mol, XLogP of 8.21, 13 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloropyrazin-2-yl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]formamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165110054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).