6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C75H61F5N24O3 — CID 164954717

IUPAC6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC#CC(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C(F)(F)F)c4)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C(F)F)c4)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(-c4cnn(CC(C)C)c4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C27H26N8O.C24H17F3N8O.C24H18F2N8O/c1-4-26(36)33-9-7-32(8-10-33)25-6-5-20(13-29-25)24-11-21(18-35-27(24)22(12-28)14-31-35)23-15-30-34(17-23)16-19(2)3;1-2-22(36)33-7-5-32(6-8-33)21-4-3-16(11-29-21)20-9-17(14-34-23(20)18(10-28)12-30-34)19-13-31-35(15-19)24(25,26)27;1-2-22(35)32-7-5-31(6-8-32)21-4-3-16(11-28-21)20-9-17(19-13-30-34(15-19)24(25)26)14-33-23(20)18(10-27)12-29-33/h1,5-6,11,13-15,17-19H,7-10,16H2,2-3H3;1,3-4,9,11-15H,5-8H2;1,3-4,9,11-15,24H,5-8H2
InChIKeyBAENQCBPDBPRFA-UHFFFAOYSA-N
MW1441.47 g/mol
LogP8.77
Rot. Bonds12

About 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164954717) has the molecular formula C75H61F5N24O3 and a molecular weight of 1441.47 g/mol. Its IUPAC name is 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID164954717
Molecular FormulaC75H61F5N24O3
Molecular Weight1441.47 g/mol
Exact Mass1440.53
IUPAC Name6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC#CC(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C(F)(F)F)c4)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C(F)F)c4)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(-c4cnn(CC(C)C)c4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C27H26N8O.C24H17F3N8O.C24H18F2N8O/c1-4-26(36)33-9-7-32(8-10-33)25-6-5-20(13-29-25)24-11-21(18-35-27(24)22(12-28)14-31-35)23-15-30-34(17-23)16-19(2)3;1-2-22(36)33-7-5-32(6-8-33)21-4-3-16(11-29-21)20-9-17(14-34-23(20)18(10-28)12-30-34)19-13-31-35(15-19)24(25,26)27;1-2-22(35)32-7-5-31(6-8-32)21-4-3-16(11-28-21)20-9-17(19-13-30-34(15-19)24(25)26)14-33-23(20)18(10-27)12-29-33/h1,5-6,11,13-15,17-19H,7-10,16H2,2-3H3;1,3-4,9,11-15H,5-8H2;1,3-4,9,11-15,24H,5-8H2
InChIKeyBAENQCBPDBPRFA-UHFFFAOYSA-N
XLogP8.77
TPSA286.05 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001441.47
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Related Compounds

US10023570, Example 265
CID 124199391
US10023570, Example 39
CID 124199478
US10023570, Example 242
CID 124199575
US10023570, Example 243
CID 124199589
US10023570, Example 59
CID 124199637
US10023570, Example 346
CID 124199721
US10023570, Example 101
CID 124199890
US10023570, Example 114
CID 124199892
US10023570, Example 116
CID 124199893
US10023570, Example 113
CID 124199896
US10023570, Example 115
CID 124199897
US10023570, Example 267
CID 124199958

Frequently Asked Questions

What is the IUPAC name of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164954717) is 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C#CC(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C(F)(F)F)c4)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C(F)F)c4)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(-c4cnn(CC(C)C)c4)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is BAENQCBPDBPRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O.C24H17F3N8O.C24H18F2N8O/c1-4-26(36)33-9-7-32(8-10-33)25-6-5-20(13-29-25)24-11-21(18-35-27(24)22(12-28)14-31-35)23-15-30-34(17-23)16-19(2)3;1-2-22(36)33-7-5-32(6-8-33)21-4-3-16(11-29-21)20-9-17(14-34-23(20)18(10-28)12-30-34)19-13-31-35(15-19)24(25,26)27;1-2-22(35)32-7-5-31(6-8-32)21-4-3-16(11-28-21)20-9-17(19-13-30-34(15-19)24(25)26)14-33-23(20)18(10-27)12-29-33/h1,5-6,11,13-15,17-19H,7-10,16H2,2-3H3;1,3-4,9,11-15H,5-8H2;1,3-4,9,11-15,24H,5-8H2.
What are the key properties of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1441.47 g/mol, XLogP of 8.77, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164954717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).