4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-dimethylpiperazine-1-carbothioamide;6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(2-methylcyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C113H121N33O5S — CID 167564548

IUPAC4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-dimethylpiperazine-1-carbothioamide;6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(2-methylcyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC1=C(C(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)CCC1.CN(C)C(=S)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CC(C)(O)C5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(N5CCC(C(C)(C)O)CC5)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C32H38N8O2.C29H30N8O2.C28H28N8O.C24H25N9S/c1-32(2,41)26-8-10-38(11-9-26)27-16-28(31-25(17-33)20-36-40(31)22-27)24-5-6-29(34-19-24)39-14-12-37(13-15-39)21-23-4-7-30(42-3)35-18-23;1-29(38)17-35(18-29)22-8-25(28-21(9-30)12-33-37(28)16-22)20-4-5-26(31-11-20)34-14-23-7-24(15-34)36(23)13-19-3-6-27(39-2)32-10-19;1-19-4-3-5-24(19)28(37)35-10-8-34(9-11-35)26-7-6-20(14-30-26)25-12-21(23-16-31-33(2)17-23)18-36-27(25)22(13-29)15-32-36;1-29(2)24(34)32-8-6-31(7-9-32)22-5-4-17(12-26-22)21-10-18(20-14-27-30(3)15-20)16-33-23(21)19(11-25)13-28-33/h4-7,16,18-20,22,26,41H,8-15,21H2,1-3H3;3-6,8,10-12,16,23-24,38H,7,13-15,17-18H2,1-2H3;6-7,12,14-18H,3-5,8-11H2,1-2H3;4-5,10,12-16H,6-9H2,1-3H3
InChIKeyFCKNTDNLTFBFNN-UHFFFAOYSA-N
MW2053.50 g/mol
LogP13.14
Rot. Bonds20

About 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-dimethylpiperazine-1-carbothioamide;6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(2-methylcyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-dimethylpiperazine-1-carbothioamide;6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(2-methylcyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 167564548) has the molecular formula C113H121N33O5S and a molecular weight of 2053.50 g/mol. Its IUPAC name is 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-dimethylpiperazine-1-carbothioamide;6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(2-methylcyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-dimethylpiperazine-1-carbothioamide;6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(2-methylcyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID167564548
Molecular FormulaC113H121N33O5S
Molecular Weight2053.50 g/mol
Exact Mass2051.99
IUPAC Name4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-dimethylpiperazine-1-carbothioamide;6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(2-methylcyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC1=C(C(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)CCC1.CN(C)C(=S)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CC(C)(O)C5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(N5CCC(C(C)(C)O)CC5)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C32H38N8O2.C29H30N8O2.C28H28N8O.C24H25N9S/c1-32(2,41)26-8-10-38(11-9-26)27-16-28(31-25(17-33)20-36-40(31)22-27)24-5-6-29(34-19-24)39-14-12-37(13-15-39)21-23-4-7-30(42-3)35-18-23;1-29(38)17-35(18-29)22-8-25(28-21(9-30)12-33-37(28)16-22)20-4-5-26(31-11-20)34-14-23-7-24(15-34)36(23)13-19-3-6-27(39-2)32-10-19;1-19-4-3-5-24(19)28(37)35-10-8-34(9-11-35)26-7-6-20(14-30-26)25-12-21(23-16-31-33(2)17-23)18-36-27(25)22(13-29)15-32-36;1-29(2)24(34)32-8-6-31(7-9-32)22-5-4-17(12-26-22)21-10-18(20-14-27-30(3)15-20)16-33-23(21)19(11-25)13-28-33/h4-7,16,18-20,22,26,41H,8-15,21H2,1-3H3;3-6,8,10-12,16,23-24,38H,7,13-15,17-18H2,1-2H3;6-7,12,14-18H,3-5,8-11H2,1-2H3;4-5,10,12-16H,6-9H2,1-3H3
InChIKeyFCKNTDNLTFBFNN-UHFFFAOYSA-N
XLogP13.14
TPSA388.97 Ų
H-Bond Donors2
H-Bond Acceptors36
Rotatable Bonds20
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002053.50
LogP ≤ 513.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-dimethylpiperazine-1-carbothioamide;6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(2-methylcyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-dimethylpiperazine-1-carbothioamide;6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(2-methylcyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-dimethylpiperazine-1-carbothioamide;6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(2-methylcyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 167564548) is 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-dimethylpiperazine-1-carbothioamide;6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(2-methylcyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-dimethylpiperazine-1-carbothioamide;6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(2-methylcyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-dimethylpiperazine-1-carbothioamide;6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(2-methylcyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC1=C(C(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)CCC1.CN(C)C(=S)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CC(C)(O)C5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(N5CCC(C(C)(C)O)CC5)cn5ncc(C#N)c45)cn3)CC2)cn1.
What is the InChIKey of 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-dimethylpiperazine-1-carbothioamide;6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(2-methylcyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is FCKNTDNLTFBFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N8O2.C29H30N8O2.C28H28N8O.C24H25N9S/c1-32(2,41)26-8-10-38(11-9-26)27-16-28(31-25(17-33)20-36-40(31)22-27)24-5-6-29(34-19-24)39-14-12-37(13-15-39)21-23-4-7-30(42-3)35-18-23;1-29(38)17-35(18-29)22-8-25(28-21(9-30)12-33-37(28)16-22)20-4-5-26(31-11-20)34-14-23-7-24(15-34)36(23)13-19-3-6-27(39-2)32-10-19;1-19-4-3-5-24(19)28(37)35-10-8-34(9-11-35)26-7-6-20(14-30-26)25-12-21(23-16-31-33(2)17-23)18-36-27(25)22(13-29)15-32-36;1-29(2)24(34)32-8-6-31(7-9-32)22-5-4-17(12-26-22)21-10-18(20-14-27-30(3)15-20)16-33-23(21)19(11-25)13-28-33/h4-7,16,18-20,22,26,41H,8-15,21H2,1-3H3;3-6,8,10-12,16,23-24,38H,7,13-15,17-18H2,1-2H3;6-7,12,14-18H,3-5,8-11H2,1-2H3;4-5,10,12-16H,6-9H2,1-3H3.
What are the key properties of 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-dimethylpiperazine-1-carbothioamide;6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(2-methylcyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-dimethylpiperazine-1-carbothioamide;6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(2-methylcyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 2053.50 g/mol, XLogP of 13.14, 20 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-dimethylpiperazine-1-carbothioamide;6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(2-methylcyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 167564548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).