4-[6-[4-[3-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[4-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[2-(3-ethynylbenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-3-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-prop-2-ynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C188H175F3N36O14 — CID 164952295

IUPAC4-[6-[4-[3-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[4-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[2-(3-ethynylbenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-3-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-prop-2-ynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC#CCc1cccc(C(=O)N2CCN(c3ccc(-c4cc(OCC)cn5ncc(C#N)c45)cn3)CC2)c1.C#Cc1cccc(C(=O)N2CCC3(CCN(c4ccc(-c5cc(OCC)cn6ncc(C#N)c56)cn4)CC3)C2)c1.CCOc1cc(-c2ccc(N3CCN(C(=O)c4ccc(C#CC(C)(C)O)cc4)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)c4ccc(C#CC5CC5)cc4)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)c4ccc(C#CCOC(C)(C)C)c(C(F)(F)F)c4)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)c4cccc(C#CC5CC5)c4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C34H33F3N6O3.C32H30N6O2.C31H30N6O3.2C31H28N6O2.C29H26N6O2/c1-5-45-27-18-28(31-26(19-38)21-40-43(31)22-27)25-10-11-30(39-20-25)41-12-14-42(15-13-41)32(44)24-9-8-23(29(17-24)34(35,36)37)7-6-16-46-33(2,3)4;1-3-23-6-5-7-24(16-23)31(39)37-15-12-32(22-37)10-13-36(14-11-32)29-9-8-25(19-34-29)28-17-27(40-4-2)21-38-30(28)26(18-33)20-35-38;1-4-40-26-17-27(29-25(18-32)20-34-37(29)21-26)24-9-10-28(33-19-24)35-13-15-36(16-14-35)30(38)23-7-5-22(6-8-23)11-12-31(2,3)39;1-2-39-27-17-28(30-26(18-32)20-34-37(30)21-27)25-11-12-29(33-19-25)35-13-15-36(16-14-35)31(38)24-9-7-23(8-10-24)6-5-22-3-4-22;1-2-39-27-17-28(30-26(18-32)20-34-37(30)21-27)25-10-11-29(33-19-25)35-12-14-36(15-13-35)31(38)24-5-3-4-23(16-24)9-8-22-6-7-22;1-3-6-21-7-5-8-22(15-21)29(36)34-13-11-33(12-14-34)27-10-9-23(18-31-27)26-16-25(37-4-2)20-35-28(26)24(17-30)19-32-35/h8-11,17-18,20-22H,5,12-16H2,1-4H3;1,5-9,16-17,19-21H,4,10-15,22H2,2H3;5-10,17,19-21,39H,4,13-16H2,1-3H3;7-12,17,19-22H,2-4,13-16H2,1H3;3-5,10-11,16-17,19-22H,2,6-7,12-15H2,1H3;1,5,7-10,15-16,18-20H,4,6,11-14H2,2H3
InChIKeyARXAJKYNESNXGF-UHFFFAOYSA-N
MW3219.70 g/mol
LogP26.93
Rot. Bonds32

About 4-[6-[4-[3-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[4-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[2-(3-ethynylbenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-3-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-prop-2-ynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[3-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[4-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[2-(3-ethynylbenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-3-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-prop-2-ynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164952295) has the molecular formula C188H175F3N36O14 and a molecular weight of 3219.70 g/mol. Its IUPAC name is 4-[6-[4-[3-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[4-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[2-(3-ethynylbenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-3-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-prop-2-ynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[3-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[4-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[2-(3-ethynylbenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-3-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-prop-2-ynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID164952295
Molecular FormulaC188H175F3N36O14
Molecular Weight3219.70 g/mol
Exact Mass3217.40
IUPAC Name4-[6-[4-[3-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[4-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[2-(3-ethynylbenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-3-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-prop-2-ynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC#CCc1cccc(C(=O)N2CCN(c3ccc(-c4cc(OCC)cn5ncc(C#N)c45)cn3)CC2)c1.C#Cc1cccc(C(=O)N2CCC3(CCN(c4ccc(-c5cc(OCC)cn6ncc(C#N)c56)cn4)CC3)C2)c1.CCOc1cc(-c2ccc(N3CCN(C(=O)c4ccc(C#CC(C)(C)O)cc4)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)c4ccc(C#CC5CC5)cc4)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)c4ccc(C#CCOC(C)(C)C)c(C(F)(F)F)c4)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)c4cccc(C#CC5CC5)c4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C34H33F3N6O3.C32H30N6O2.C31H30N6O3.2C31H28N6O2.C29H26N6O2/c1-5-45-27-18-28(31-26(19-38)21-40-43(31)22-27)25-10-11-30(39-20-25)41-12-14-42(15-13-41)32(44)24-9-8-23(29(17-24)34(35,36)37)7-6-16-46-33(2,3)4;1-3-23-6-5-7-24(16-23)31(39)37-15-12-32(22-37)10-13-36(14-11-32)29-9-8-25(19-34-29)28-17-27(40-4-2)21-38-30(28)26(18-33)20-35-38;1-4-40-26-17-27(29-25(18-32)20-34-37(29)21-26)24-9-10-28(33-19-24)35-13-15-36(16-14-35)30(38)23-7-5-22(6-8-23)11-12-31(2,3)39;1-2-39-27-17-28(30-26(18-32)20-34-37(30)21-27)25-11-12-29(33-19-25)35-13-15-36(16-14-35)31(38)24-9-7-23(8-10-24)6-5-22-3-4-22;1-2-39-27-17-28(30-26(18-32)20-34-37(30)21-27)25-10-11-29(33-19-25)35-12-14-36(15-13-35)31(38)24-5-3-4-23(16-24)9-8-22-6-7-22;1-3-6-21-7-5-8-22(15-21)29(36)34-13-11-33(12-14-34)27-10-9-23(18-31-27)26-16-25(37-4-2)20-35-28(26)24(17-30)19-32-35/h8-11,17-18,20-22H,5,12-16H2,1-4H3;1,5-9,16-17,19-21H,4,10-15,22H2,2H3;5-10,17,19-21,39H,4,13-16H2,1-3H3;7-12,17,19-22H,2-4,13-16H2,1H3;3-5,10-11,16-17,19-22H,2,6-7,12-15H2,1H3;1,5,7-10,15-16,18-20H,4,6,11-14H2,2H3
InChIKeyARXAJKYNESNXGF-UHFFFAOYSA-N
XLogP26.93
TPSA550.02 Ų
H-Bond Donors1
H-Bond Acceptors44
Rotatable Bonds32
Heavy Atoms241
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003219.70
LogP ≤ 526.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze 4-[6-[4-[3-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[4-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[2-(3-ethynylbenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-3-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-prop-2-ynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[3-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[4-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[2-(3-ethynylbenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-3-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-prop-2-ynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[3-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[4-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[2-(3-ethynylbenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-3-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-prop-2-ynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164952295) is 4-[6-[4-[3-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[4-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[2-(3-ethynylbenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-3-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-prop-2-ynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[3-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[4-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[2-(3-ethynylbenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-3-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-prop-2-ynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[3-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[4-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[2-(3-ethynylbenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-3-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-prop-2-ynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C#CCc1cccc(C(=O)N2CCN(c3ccc(-c4cc(OCC)cn5ncc(C#N)c45)cn3)CC2)c1.C#Cc1cccc(C(=O)N2CCC3(CCN(c4ccc(-c5cc(OCC)cn6ncc(C#N)c56)cn4)CC3)C2)c1.CCOc1cc(-c2ccc(N3CCN(C(=O)c4ccc(C#CC(C)(C)O)cc4)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)c4ccc(C#CC5CC5)cc4)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)c4ccc(C#CCOC(C)(C)C)c(C(F)(F)F)c4)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)c4cccc(C#CC5CC5)c4)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-[4-[3-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[4-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[2-(3-ethynylbenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-3-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-prop-2-ynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is ARXAJKYNESNXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33F3N6O3.C32H30N6O2.C31H30N6O3.2C31H28N6O2.C29H26N6O2/c1-5-45-27-18-28(31-26(19-38)21-40-43(31)22-27)25-10-11-30(39-20-25)41-12-14-42(15-13-41)32(44)24-9-8-23(29(17-24)34(35,36)37)7-6-16-46-33(2,3)4;1-3-23-6-5-7-24(16-23)31(39)37-15-12-32(22-37)10-13-36(14-11-32)29-9-8-25(19-34-29)28-17-27(40-4-2)21-38-30(28)26(18-33)20-35-38;1-4-40-26-17-27(29-25(18-32)20-34-37(29)21-26)24-9-10-28(33-19-24)35-13-15-36(16-14-35)30(38)23-7-5-22(6-8-23)11-12-31(2,3)39;1-2-39-27-17-28(30-26(18-32)20-34-37(30)21-27)25-11-12-29(33-19-25)35-13-15-36(16-14-35)31(38)24-9-7-23(8-10-24)6-5-22-3-4-22;1-2-39-27-17-28(30-26(18-32)20-34-37(30)21-27)25-10-11-29(33-19-25)35-12-14-36(15-13-35)31(38)24-5-3-4-23(16-24)9-8-22-6-7-22;1-3-6-21-7-5-8-22(15-21)29(36)34-13-11-33(12-14-34)27-10-9-23(18-31-27)26-16-25(37-4-2)20-35-28(26)24(17-30)19-32-35/h8-11,17-18,20-22H,5,12-16H2,1-4H3;1,5-9,16-17,19-21H,4,10-15,22H2,2H3;5-10,17,19-21,39H,4,13-16H2,1-3H3;7-12,17,19-22H,2-4,13-16H2,1H3;3-5,10-11,16-17,19-22H,2,6-7,12-15H2,1H3;1,5,7-10,15-16,18-20H,4,6,11-14H2,2H3.
What are the key properties of 4-[6-[4-[3-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[4-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[2-(3-ethynylbenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-3-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-prop-2-ynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[3-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[4-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[2-(3-ethynylbenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-3-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-prop-2-ynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 3219.70 g/mol, XLogP of 26.93, 32 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[3-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[4-(2-cyclopropylethynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[2-(3-ethynylbenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[4-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-3-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-prop-2-ynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164952295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).