6-ethoxy-4-[6-[4-(3-ethynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C28H24N6O2 — CID 152648631

IUPAC6-ethoxy-4-[6-[4-(3-ethynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC#Cc1cccc(C(=O)N2CCN(c3ccc(-c4cc(OCC)cn5ncc(C#N)c45)cn3)CC2)c1
InChIInChI=1S/C28H24N6O2/c1-3-20-6-5-7-21(14-20)28(35)33-12-10-32(11-13-33)26-9-8-22(17-30-26)25-15-24(36-4-2)19-34-27(25)23(16-29)18-31-34/h1,5-9,14-15,17-19H,4,10-13H2,2H3
InChIKeyZHBUBPVHTUXAQQ-UHFFFAOYSA-N
MW476.54 g/mol
LogP3.61
Rot. Bonds5

About 6-ethoxy-4-[6-[4-(3-ethynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[4-(3-ethynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 152648631) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[4-(3-ethynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethoxy-4-[6-[4-(3-ethynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID152648631
Molecular FormulaC28H24N6O2
Molecular Weight476.54 g/mol
Exact Mass476.20
IUPAC Name6-ethoxy-4-[6-[4-(3-ethynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC#Cc1cccc(C(=O)N2CCN(c3ccc(-c4cc(OCC)cn5ncc(C#N)c45)cn3)CC2)c1
InChIInChI=1S/C28H24N6O2/c1-3-20-6-5-7-21(14-20)28(35)33-12-10-32(11-13-33)26-9-8-22(17-30-26)25-15-24(36-4-2)19-34-27(25)23(16-29)18-31-34/h1,5-9,14-15,17-19H,4,10-13H2,2H3
InChIKeyZHBUBPVHTUXAQQ-UHFFFAOYSA-N
XLogP3.61
TPSA86.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-[3-(3-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667060
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-[4-(5-phenylpent-4-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667309
6-ethoxy-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436826
4-[6-[4-(4-ethenylpyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667206
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-prop-2-ynylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146668359
6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
6-ethoxy-4-[6-[[1-(4-ethynylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146627105
6-ethoxy-4-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167643625
4-[6-[4-[(2R)-2-(dimethylamino)-4-methylpentanoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436504

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-[4-(3-ethynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-ethoxy-4-[6-[4-(3-ethynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 152648631) is 6-ethoxy-4-[6-[4-(3-ethynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethoxy-4-[6-[4-(3-ethynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-ethoxy-4-[6-[4-(3-ethynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C#Cc1cccc(C(=O)N2CCN(c3ccc(-c4cc(OCC)cn5ncc(C#N)c45)cn3)CC2)c1.
What is the InChIKey of 6-ethoxy-4-[6-[4-(3-ethynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is ZHBUBPVHTUXAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O2/c1-3-20-6-5-7-21(14-20)28(35)33-12-10-32(11-13-33)26-9-8-22(17-30-26)25-15-24(36-4-2)19-34-27(25)23(16-29)18-31-34/h1,5-9,14-15,17-19H,4,10-13H2,2H3.
What are the key properties of 6-ethoxy-4-[6-[4-(3-ethynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-ethoxy-4-[6-[4-(3-ethynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 476.54 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-[6-[4-(3-ethynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 152648631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).