6-[2-(4-acetylpiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2S)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2R)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxyethoxy)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C97H96N26O12 — CID 164952500

IUPAC6-[2-(4-acetylpiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2S)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2R)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxyethoxy)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC#CC(=O)N1CCN(c2ccc(-c3cc(OCCN4CCN(C(C)=O)CC4)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OCCOC)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OC[C@@H](C)O)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OC[C@H](C)O)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C28H30N8O3.3C23H22N6O3/c1-3-27(38)35-12-10-34(11-13-35)26-5-4-22(18-30-26)25-16-24(20-36-28(25)23(17-29)19-31-36)39-15-14-32-6-8-33(9-7-32)21(2)37;2*1-3-22(31)28-8-6-27(7-9-28)21-5-4-17(12-25-21)20-10-19(32-15-16(2)30)14-29-23(20)18(11-24)13-26-29;1-3-22(30)28-8-6-27(7-9-28)21-5-4-17(14-25-21)20-12-19(32-11-10-31-2)16-29-23(20)18(13-24)15-26-29/h1,4-5,16,18-20H,6-15H2,2H3;2*1,4-5,10,12-14,16,30H,6-9,15H2,2H3;1,4-5,12,14-16H,6-11H2,2H3/t;2*16-;/m.10./s1
InChIKeyASQDKUYVQUHXCW-YNYGKNSPSA-N
MW1818.00 g/mol
LogP5.29
Rot. Bonds22

About 6-[2-(4-acetylpiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2S)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2R)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxyethoxy)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[2-(4-acetylpiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2S)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2R)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxyethoxy)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164952500) has the molecular formula C97H96N26O12 and a molecular weight of 1818.00 g/mol. Its IUPAC name is 6-[2-(4-acetylpiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2S)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2R)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxyethoxy)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(4-acetylpiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2S)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2R)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxyethoxy)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID164952500
Molecular FormulaC97H96N26O12
Molecular Weight1818.00 g/mol
Exact Mass1816.77
IUPAC Name6-[2-(4-acetylpiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2S)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2R)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxyethoxy)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC#CC(=O)N1CCN(c2ccc(-c3cc(OCCN4CCN(C(C)=O)CC4)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OCCOC)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OC[C@@H](C)O)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OC[C@H](C)O)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C28H30N8O3.3C23H22N6O3/c1-3-27(38)35-12-10-34(11-13-35)26-5-4-22(18-30-26)25-16-24(20-36-28(25)23(17-29)19-31-36)39-15-14-32-6-8-33(9-7-32)21(2)37;2*1-3-22(31)28-8-6-27(7-9-28)21-5-4-17(12-25-21)20-10-19(32-15-16(2)30)14-29-23(20)18(11-24)13-26-29;1-3-22(30)28-8-6-27(7-9-28)21-5-4-17(14-25-21)20-12-19(32-11-10-31-2)16-29-23(20)18(13-24)15-26-29/h1,4-5,16,18-20H,6-15H2,2H3;2*1,4-5,10,12-14,16,30H,6-9,15H2,2H3;1,4-5,12,14-16H,6-11H2,2H3/t;2*16-;/m.10./s1
InChIKeyASQDKUYVQUHXCW-YNYGKNSPSA-N
XLogP5.29
TPSA420.28 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds22
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001818.00
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 6-[2-(4-acetylpiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2S)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2R)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxyethoxy)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-acetylpiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2S)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2R)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxyethoxy)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(4-acetylpiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2S)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2R)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxyethoxy)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164952500) is 6-[2-(4-acetylpiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2S)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2R)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxyethoxy)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(4-acetylpiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2S)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2R)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxyethoxy)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(4-acetylpiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2S)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2R)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxyethoxy)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C#CC(=O)N1CCN(c2ccc(-c3cc(OCCN4CCN(C(C)=O)CC4)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OCCOC)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OC[C@@H](C)O)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OC[C@H](C)O)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of 6-[2-(4-acetylpiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2S)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2R)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxyethoxy)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is ASQDKUYVQUHXCW-YNYGKNSPSA-N. The full InChI is InChI=1S/C28H30N8O3.3C23H22N6O3/c1-3-27(38)35-12-10-34(11-13-35)26-5-4-22(18-30-26)25-16-24(20-36-28(25)23(17-29)19-31-36)39-15-14-32-6-8-33(9-7-32)21(2)37;2*1-3-22(31)28-8-6-27(7-9-28)21-5-4-17(12-25-21)20-10-19(32-15-16(2)30)14-29-23(20)18(11-24)13-26-29;1-3-22(30)28-8-6-27(7-9-28)21-5-4-17(14-25-21)20-12-19(32-11-10-31-2)16-29-23(20)18(13-24)15-26-29/h1,4-5,16,18-20H,6-15H2,2H3;2*1,4-5,10,12-14,16,30H,6-9,15H2,2H3;1,4-5,12,14-16H,6-11H2,2H3/t;2*16-;/m.10./s1.
What are the key properties of 6-[2-(4-acetylpiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2S)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2R)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxyethoxy)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[2-(4-acetylpiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2S)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2R)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxyethoxy)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1818.00 g/mol, XLogP of 5.29, 22 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-acetylpiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2S)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(2R)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxyethoxy)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164952500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).