6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C83H76N24O3 — CID 164994049

IUPAC6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC#CC(=O)N1CC2(CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)C1.C#CC(=O)N1CCC2(CCCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)C2)C1.C#CC(=O)N1CCC2(CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)C1
InChIInChI=1S/2C28H26N8O.C27H24N8O/c1-3-26(37)35-10-8-28(19-35)7-4-9-34(18-28)25-6-5-20(13-30-25)24-11-21(23-15-31-33(2)16-23)17-36-27(24)22(12-29)14-32-36;1-3-26(37)35-11-8-28(19-35)6-9-34(10-7-28)25-5-4-20(14-30-25)24-12-21(23-16-31-33(2)17-23)18-36-27(24)22(13-29)15-32-36;1-3-25(36)34-17-27(18-34)6-8-33(9-7-27)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/h1,5-6,11,13-17H,4,7-10,18-19H2,2H3;1,4-5,12,14-18H,6-11,19H2,2H3;1,4-5,10,12-16H,6-9,17-18H2,2H3
InChIKeyHHDVZCGJQUWBRK-UHFFFAOYSA-N
MW1457.69 g/mol
LogP8.97
Rot. Bonds9

About 6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164994049) has the molecular formula C83H76N24O3 and a molecular weight of 1457.69 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[3.5]nonan-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-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID164994049
Molecular FormulaC83H76N24O3
Molecular Weight1457.69 g/mol
Exact Mass1456.65
IUPAC Name6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC#CC(=O)N1CC2(CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)C1.C#CC(=O)N1CCC2(CCCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)C2)C1.C#CC(=O)N1CCC2(CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)C1
InChIInChI=1S/2C28H26N8O.C27H24N8O/c1-3-26(37)35-10-8-28(19-35)7-4-9-34(18-28)25-6-5-20(13-30-25)24-11-21(23-15-31-33(2)16-23)17-36-27(24)22(12-29)14-32-36;1-3-26(37)35-11-8-28(19-35)6-9-34(10-7-28)25-5-4-20(14-30-25)24-12-21(23-16-31-33(2)17-23)18-36-27(24)22(13-29)15-32-36;1-3-25(36)34-17-27(18-34)6-8-33(9-7-27)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/h1,5-6,11,13-17H,4,7-10,18-19H2,2H3;1,4-5,12,14-18H,6-11,19H2,2H3;1,4-5,10,12-16H,6-9,17-18H2,2H3
InChIKeyHHDVZCGJQUWBRK-UHFFFAOYSA-N
XLogP8.97
TPSA286.05 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds9
Heavy Atoms110
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001457.69
LogP ≤ 58.97
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-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[3.5]nonan-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-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[3.5]nonan-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-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164994049) is 6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[3.5]nonan-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-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[3.5]nonan-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-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C#CC(=O)N1CC2(CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)C1.C#CC(=O)N1CCC2(CCCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)C2)C1.C#CC(=O)N1CCC2(CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)C1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is HHDVZCGJQUWBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H26N8O.C27H24N8O/c1-3-26(37)35-10-8-28(19-35)7-4-9-34(18-28)25-6-5-20(13-30-25)24-11-21(23-15-31-33(2)16-23)17-36-27(24)22(12-29)14-32-36;1-3-26(37)35-11-8-28(19-35)6-9-34(10-7-28)25-5-4-20(14-30-25)24-12-21(23-16-31-33(2)17-23)18-36-27(24)22(13-29)15-32-36;1-3-25(36)34-17-27(18-34)6-8-33(9-7-27)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/h1,5-6,11,13-17H,4,7-10,18-19H2,2H3;1,4-5,12,14-18H,6-11,19H2,2H3;1,4-5,10,12-16H,6-9,17-18H2,2H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1457.69 g/mol, XLogP of 8.97, 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-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(2-prop-2-ynoyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164994049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).