4-[6-[4-(4-ethenylpyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

C27H25N7O2 — CID 146667206

IUPAC4-[6-[4-(4-ethenylpyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC=Cc1ccnc(C(=O)N2CCN(c3ccc(-c4cc(OCC)cn5ncc(C#N)c45)cn3)CC2)c1
InChIInChI=1S/C27H25N7O2/c1-3-19-7-8-29-24(13-19)27(35)33-11-9-32(10-12-33)25-6-5-20(16-30-25)23-14-22(36-4-2)18-34-26(23)21(15-28)17-31-34/h3,5-8,13-14,16-18H,1,4,9-12H2,2H3
InChIKeyNNEHGFXLVCUASF-UHFFFAOYSA-N
MW479.54 g/mol
LogP3.67
Rot. Bonds6

About 4-[6-[4-(4-ethenylpyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-(4-ethenylpyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146667206) has the molecular formula C27H25N7O2 and a molecular weight of 479.54 g/mol. Its IUPAC name is 4-[6-[4-(4-ethenylpyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-(4-ethenylpyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID146667206
Molecular FormulaC27H25N7O2
Molecular Weight479.54 g/mol
Exact Mass479.21
IUPAC Name4-[6-[4-(4-ethenylpyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC=Cc1ccnc(C(=O)N2CCN(c3ccc(-c4cc(OCC)cn5ncc(C#N)c45)cn3)CC2)c1
InChIInChI=1S/C27H25N7O2/c1-3-19-7-8-29-24(13-19)27(35)33-11-9-32(10-12-33)25-6-5-20(16-30-25)23-14-22(36-4-2)18-34-26(23)21(15-28)17-31-34/h3,5-8,13-14,16-18H,1,4,9-12H2,2H3
InChIKeyNNEHGFXLVCUASF-UHFFFAOYSA-N
XLogP3.67
TPSA99.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436826
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-(3-ethynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 152648631
6-ethoxy-4-[6-[4-(4-ethynyl-2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146626990
4-[6-[[1-(4-ethenylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667787
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
6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
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-(3-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667060
4-[5-[3-cyano-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 134436391

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(4-ethenylpyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-(4-ethenylpyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146667206) is 4-[6-[4-(4-ethenylpyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-(4-ethenylpyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-(4-ethenylpyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is C=Cc1ccnc(C(=O)N2CCN(c3ccc(-c4cc(OCC)cn5ncc(C#N)c45)cn3)CC2)c1.
What is the InChIKey of 4-[6-[4-(4-ethenylpyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is NNEHGFXLVCUASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2/c1-3-19-7-8-29-24(13-19)27(35)33-11-9-32(10-12-33)25-6-5-20(16-30-25)23-14-22(36-4-2)18-34-26(23)21(15-28)17-31-34/h3,5-8,13-14,16-18H,1,4,9-12H2,2H3.
What are the key properties of 4-[6-[4-(4-ethenylpyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-(4-ethenylpyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 479.54 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(4-ethenylpyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146667206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).