6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-2-ynoyl-4,7-diazaspiro[2.5]octan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C78H66N24O3 — CID 164996660

IUPAC6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-2-ynoyl-4,7-diazaspiro[2.5]octan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC#CC(=O)N1CC2(C1)CN(c1ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn1)C2.C#CC(=O)N1CCC2(CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)C2)C1.C#CC(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC12CC2
InChIInChI=1S/C27H24N8O.C26H22N8O.C25H20N8O/c1-3-25(36)34-9-7-27(18-34)6-8-33(17-27)24-5-4-19(12-29-24)23-10-20(22-14-30-32(2)15-22)16-35-26(23)21(11-28)13-31-35;1-3-24(35)33-9-8-32(17-26(33)6-7-26)23-5-4-18(12-28-23)22-10-19(21-14-29-31(2)15-21)16-34-25(22)20(11-27)13-30-34;1-3-23(34)32-15-25(16-32)13-31(14-25)22-5-4-17(8-27-22)21-6-18(20-10-28-30(2)11-20)12-33-24(21)19(7-26)9-29-33/h1,4-5,10,12-16H,6-9,17-18H2,2H3;1,4-5,10,12-16H,6-9,17H2,2H3;1,4-6,8-12H,13-16H2,2H3
InChIKeyHQNJBAWZRVPMRS-UHFFFAOYSA-N
MW1387.55 g/mol
LogP7.16
Rot. Bonds9

About 6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-2-ynoyl-4,7-diazaspiro[2.5]octan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-2-ynoyl-4,7-diazaspiro[2.5]octan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164996660) has the molecular formula C78H66N24O3 and a molecular weight of 1387.55 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-2-ynoyl-4,7-diazaspiro[2.5]octan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-2-ynoyl-4,7-diazaspiro[2.5]octan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID164996660
Molecular FormulaC78H66N24O3
Molecular Weight1387.55 g/mol
Exact Mass1386.57
IUPAC Name6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-2-ynoyl-4,7-diazaspiro[2.5]octan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC#CC(=O)N1CC2(C1)CN(c1ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn1)C2.C#CC(=O)N1CCC2(CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)C2)C1.C#CC(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC12CC2
InChIInChI=1S/C27H24N8O.C26H22N8O.C25H20N8O/c1-3-25(36)34-9-7-27(18-34)6-8-33(17-27)24-5-4-19(12-29-24)23-10-20(22-14-30-32(2)15-22)16-35-26(23)21(11-28)13-31-35;1-3-24(35)33-9-8-32(17-26(33)6-7-26)23-5-4-18(12-28-23)22-10-19(21-14-29-31(2)15-21)16-34-25(22)20(11-27)13-30-34;1-3-23(34)32-15-25(16-32)13-31(14-25)22-5-4-17(8-27-22)21-6-18(20-10-28-30(2)11-20)12-33-24(21)19(7-26)9-29-33/h1,4-5,10,12-16H,6-9,17-18H2,2H3;1,4-5,10,12-16H,6-9,17H2,2H3;1,4-6,8-12H,13-16H2,2H3
InChIKeyHQNJBAWZRVPMRS-UHFFFAOYSA-N
XLogP7.16
TPSA286.05 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds9
Heavy Atoms105
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001387.55
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-2-ynoyl-4,7-diazaspiro[2.5]octan-7-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 6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-2-ynoyl-4,7-diazaspiro[2.5]octan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-2-ynoyl-4,7-diazaspiro[2.5]octan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164996660) is 6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-2-ynoyl-4,7-diazaspiro[2.5]octan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-2-ynoyl-4,7-diazaspiro[2.5]octan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-2-ynoyl-4,7-diazaspiro[2.5]octan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C#CC(=O)N1CC2(C1)CN(c1ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn1)C2.C#CC(=O)N1CCC2(CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)C2)C1.C#CC(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC12CC2.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-2-ynoyl-4,7-diazaspiro[2.5]octan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is HQNJBAWZRVPMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8O.C26H22N8O.C25H20N8O/c1-3-25(36)34-9-7-27(18-34)6-8-33(17-27)24-5-4-19(12-29-24)23-10-20(22-14-30-32(2)15-22)16-35-26(23)21(11-28)13-31-35;1-3-24(35)33-9-8-32(17-26(33)6-7-26)23-5-4-18(12-28-23)22-10-19(21-14-29-31(2)15-21)16-34-25(22)20(11-27)13-30-34;1-3-23(34)32-15-25(16-32)13-31(14-25)22-5-4-17(8-27-22)21-6-18(20-10-28-30(2)11-20)12-33-24(21)19(7-26)9-29-33/h1,4-5,10,12-16H,6-9,17-18H2,2H3;1,4-5,10,12-16H,6-9,17H2,2H3;1,4-6,8-12H,13-16H2,2H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-2-ynoyl-4,7-diazaspiro[2.5]octan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-2-ynoyl-4,7-diazaspiro[2.5]octan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1387.55 g/mol, XLogP of 7.16, 9 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-2-ynoyl-4,7-diazaspiro[2.5]octan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164996660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).