4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)but-3-enoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C32H29FN8O2 — CID 146660323

IUPAC4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)but-3-enoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC=C(CC(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)c1cc(F)cc(OC)c1
InChIInChI=1S/C32H29FN8O2/c1-21(23-11-27(33)14-28(12-23)43-3)10-31(42)40-8-6-39(7-9-40)30-5-4-22(16-35-30)29-13-24(26-18-36-38(2)19-26)20-41-32(29)25(15-34)17-37-41/h4-5,11-14,16-20H,1,6-10H2,2-3H3
InChIKeyWJXCYFDZDDUEBO-UHFFFAOYSA-N
MW576.64 g/mol
LogP4.57
Rot. Bonds7

About 4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)but-3-enoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)but-3-enoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146660323) has the molecular formula C32H29FN8O2 and a molecular weight of 576.64 g/mol. Its IUPAC name is 4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)but-3-enoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)but-3-enoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID146660323
Molecular FormulaC32H29FN8O2
Molecular Weight576.64 g/mol
Exact Mass576.24
IUPAC Name4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)but-3-enoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC=C(CC(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)c1cc(F)cc(OC)c1
InChIInChI=1S/C32H29FN8O2/c1-21(23-11-27(33)14-28(12-23)43-3)10-31(42)40-8-6-39(7-9-40)30-5-4-22(16-35-30)29-13-24(26-18-36-38(2)19-26)20-41-32(29)25(15-34)17-37-41/h4-5,11-14,16-20H,1,6-10H2,2-3H3
InChIKeyWJXCYFDZDDUEBO-UHFFFAOYSA-N
XLogP4.57
TPSA104.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.64
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)but-3-enoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)but-3-enoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146660323) is 4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)but-3-enoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)but-3-enoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)but-3-enoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is C=C(CC(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)c1cc(F)cc(OC)c1.
What is the InChIKey of 4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)but-3-enoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is WJXCYFDZDDUEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN8O2/c1-21(23-11-27(33)14-28(12-23)43-3)10-31(42)40-8-6-39(7-9-40)30-5-4-22(16-35-30)29-13-24(26-18-36-38(2)19-26)20-41-32(29)25(15-34)17-37-41/h4-5,11-14,16-20H,1,6-10H2,2-3H3.
What are the key properties of 4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)but-3-enoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)but-3-enoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 576.64 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)but-3-enoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146660323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).