4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-diethylpiperazine-1-carboxamide;4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C112H104F2N34O5 — CID 157129905

IUPAC4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-diethylpiperazine-1-carboxamide;4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCN(CC)C(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)Cc5ccccn5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)[C@@H](O)Cc5ccccc5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)c5c(F)cccc5F)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C30H28N8O2.C28H22F2N8O.C28H25N9O.C26H29N9O/c1-35-19-25(18-33-35)23-14-26(29-24(15-31)17-34-38(29)20-23)22-7-8-28(32-16-22)36-9-11-37(12-10-36)30(40)27(39)13-21-5-3-2-4-6-21;1-35-16-21(15-33-35)19-11-22(27-20(12-31)14-34-38(27)17-19)18-5-6-25(32-13-18)36-7-9-37(10-8-36)28(39)26-23(29)3-2-4-24(26)30;1-34-18-23(17-32-34)21-12-25(28-22(14-29)16-33-37(28)19-21)20-5-6-26(31-15-20)35-8-10-36(11-9-35)27(38)13-24-4-2-3-7-30-24;1-4-32(5-2)26(36)34-10-8-33(9-11-34)24-7-6-19(14-28-24)23-12-20(22-16-29-31(3)17-22)18-35-25(23)21(13-27)15-30-35/h2-8,14,16-20,27,39H,9-13H2,1H3;2-6,11,13-17H,7-10H2,1H3;2-7,12,15-19H,8-11,13H2,1H3;6-7,12,14-18H,4-5,8-11H2,1-3H3/t27-;;;/m0.../s1
InChIKeyAIYDJLAVWRWYBP-NWFGNCPBSA-N
MW2044.29 g/mol
LogP13.04
Rot. Bonds20

About 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-diethylpiperazine-1-carboxamide;4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]-3-pyridinyl]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-diethylpiperazine-1-carboxamide;4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 157129905) has the molecular formula C112H104F2N34O5 and a molecular weight of 2044.29 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-diethylpiperazine-1-carboxamide;4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]-3-pyridinyl]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-diethylpiperazine-1-carboxamide;4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID157129905
Molecular FormulaC112H104F2N34O5
Molecular Weight2044.29 g/mol
Exact Mass2042.89
IUPAC Name4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-diethylpiperazine-1-carboxamide;4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCN(CC)C(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)Cc5ccccn5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)[C@@H](O)Cc5ccccc5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)c5c(F)cccc5F)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C30H28N8O2.C28H22F2N8O.C28H25N9O.C26H29N9O/c1-35-19-25(18-33-35)23-14-26(29-24(15-31)17-34-38(29)20-23)22-7-8-28(32-16-22)36-9-11-37(12-10-36)30(40)27(39)13-21-5-3-2-4-6-21;1-35-16-21(15-33-35)19-11-22(27-20(12-31)14-34-38(27)17-19)18-5-6-25(32-13-18)36-7-9-37(10-8-36)28(39)26-23(29)3-2-4-24(26)30;1-34-18-23(17-32-34)21-12-25(28-22(14-29)16-33-37(28)19-21)20-5-6-26(31-15-20)35-8-10-36(11-9-35)27(38)13-24-4-2-3-7-30-24;1-4-32(5-2)26(36)34-10-8-33(9-11-34)24-7-6-19(14-28-24)23-12-20(22-16-29-31(3)17-22)18-35-25(23)21(13-27)15-30-35/h2-8,14,16-20,27,39H,9-13H2,1H3;2-6,11,13-17H,7-10H2,1H3;2-7,12,15-19H,8-11,13H2,1H3;6-7,12,14-18H,4-5,8-11H2,1-3H3/t27-;;;/m0.../s1
InChIKeyAIYDJLAVWRWYBP-NWFGNCPBSA-N
XLogP13.04
TPSA417.76 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds20
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002044.29
LogP ≤ 513.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

Analyze 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-diethylpiperazine-1-carboxamide;4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

US10023570, Example 317
CID 124200024
US10023570, Example 318
CID 124200049
US10023570, Example 319
CID 124200050
US10023570, Example 268
CID 124200130
US10023570, Example 10
CID 126739988
US10023570, Example 321
CID 126740416
US10174028, Example 10
CID 135165764
US10023570, Example 4
CID 124199468
US10023570, Example 278
CID 124199558
US10023570, Example 82
CID 124199946
US10023570, Example 288
CID 124200069
US10023570, Example 272
CID 124200126

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-diethylpiperazine-1-carboxamide;4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]-3-pyridinyl]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-diethylpiperazine-1-carboxamide;4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 157129905) is 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-diethylpiperazine-1-carboxamide;4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]-3-pyridinyl]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-diethylpiperazine-1-carboxamide;4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]-3-pyridinyl]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-diethylpiperazine-1-carboxamide;4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCN(CC)C(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)Cc5ccccn5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)[C@@H](O)Cc5ccccc5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)c5c(F)cccc5F)CC4)nc3)c3c(C#N)cnn3c2)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-diethylpiperazine-1-carboxamide;4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is AIYDJLAVWRWYBP-NWFGNCPBSA-N. The full InChI is InChI=1S/C30H28N8O2.C28H22F2N8O.C28H25N9O.C26H29N9O/c1-35-19-25(18-33-35)23-14-26(29-24(15-31)17-34-38(29)20-23)22-7-8-28(32-16-22)36-9-11-37(12-10-36)30(40)27(39)13-21-5-3-2-4-6-21;1-35-16-21(15-33-35)19-11-22(27-20(12-31)14-34-38(27)17-19)18-5-6-25(32-13-18)36-7-9-37(10-8-36)28(39)26-23(29)3-2-4-24(26)30;1-34-18-23(17-32-34)21-12-25(28-22(14-29)16-33-37(28)19-21)20-5-6-26(31-15-20)35-8-10-36(11-9-35)27(38)13-24-4-2-3-7-30-24;1-4-32(5-2)26(36)34-10-8-33(9-11-34)24-7-6-19(14-28-24)23-12-20(22-16-29-31(3)17-22)18-35-25(23)21(13-27)15-30-35/h2-8,14,16-20,27,39H,9-13H2,1H3;2-6,11,13-17H,7-10H2,1H3;2-7,12,15-19H,8-11,13H2,1H3;6-7,12,14-18H,4-5,8-11H2,1-3H3/t27-;;;/m0.../s1.
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-diethylpiperazine-1-carboxamide;4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]-3-pyridinyl]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-diethylpiperazine-1-carboxamide;4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 2044.29 g/mol, XLogP of 13.04, 20 rotatable bonds, 1 hydrogen bond donors, and 34 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-diethylpiperazine-1-carboxamide;4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 157129905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).