6-ethoxy-4-[6-(4-prop-2-ynylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C22H22N6O3S — CID 146668359

IUPAC6-ethoxy-4-[6-(4-prop-2-ynylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC#CCS(=O)(=O)N1CCN(c2ccc(-c3cc(OCC)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C22H22N6O3S/c1-3-11-32(29,30)27-9-7-26(8-10-27)21-6-5-17(14-24-21)20-12-19(31-4-2)16-28-22(20)18(13-23)15-25-28/h1,5-6,12,14-16H,4,7-11H2,2H3
InChIKeyHLMNCLWNZSFUGD-UHFFFAOYSA-N
MW450.52 g/mol
LogP1.75
Rot. Bonds6

About 6-ethoxy-4-[6-(4-prop-2-ynylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-(4-prop-2-ynylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146668359) has the molecular formula C22H22N6O3S and a molecular weight of 450.52 g/mol. Its IUPAC name is 6-ethoxy-4-[6-(4-prop-2-ynylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethoxy-4-[6-(4-prop-2-ynylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID146668359
Molecular FormulaC22H22N6O3S
Molecular Weight450.52 g/mol
Exact Mass450.15
IUPAC Name6-ethoxy-4-[6-(4-prop-2-ynylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC#CCS(=O)(=O)N1CCN(c2ccc(-c3cc(OCC)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C22H22N6O3S/c1-3-11-32(29,30)27-9-7-26(8-10-27)21-6-5-17(14-24-21)20-12-19(31-4-2)16-28-22(20)18(13-23)15-25-28/h1,5-6,12,14-16H,4,7-11H2,2H3
InChIKeyHLMNCLWNZSFUGD-UHFFFAOYSA-N
XLogP1.75
TPSA103.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
6-ethoxy-4-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167643625
6-ethoxy-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436826
6-ethoxy-4-[6-[4-(3-ethynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 152648631
1-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-3-prop-2-ynylurea
CID 146667825
6-ethoxy-4-[6-[4-(4-ethynyl-2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146626990
6-ethoxy-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435526
6-ethoxy-4-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435389
4-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134434609
6-ethoxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146668378
6-ethoxy-4-[6-[4-(5-phenylpent-4-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667309
N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide
CID 134435425

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-(4-prop-2-ynylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-ethoxy-4-[6-(4-prop-2-ynylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146668359) is 6-ethoxy-4-[6-(4-prop-2-ynylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethoxy-4-[6-(4-prop-2-ynylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-ethoxy-4-[6-(4-prop-2-ynylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C#CCS(=O)(=O)N1CCN(c2ccc(-c3cc(OCC)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of 6-ethoxy-4-[6-(4-prop-2-ynylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is HLMNCLWNZSFUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3S/c1-3-11-32(29,30)27-9-7-26(8-10-27)21-6-5-17(14-24-21)20-12-19(31-4-2)16-28-22(20)18(13-23)15-25-28/h1,5-6,12,14-16H,4,7-11H2,2H3.
What are the key properties of 6-ethoxy-4-[6-(4-prop-2-ynylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-ethoxy-4-[6-(4-prop-2-ynylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 450.52 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-[6-(4-prop-2-ynylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146668359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).