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

C29H28FN9O — CID 126740374

IUPAC4-[6-[4-[(6-ethoxy-5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1ncc(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cc1F
InChIInChI=1S/C29H28FN9O/c1-3-40-29-26(30)10-20(13-33-29)17-37-6-8-38(9-7-37)27-5-4-21(14-32-27)25-11-22(24-16-34-36(2)18-24)19-39-28(25)23(12-31)15-35-39/h4-5,10-11,13-16,18-19H,3,6-9,17H2,1-2H3
InChIKeyGRLQPVSGOBNIFC-UHFFFAOYSA-N
MW537.60 g/mol
LogP3.92
Rot. Bonds7

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

4-[6-[4-[(6-ethoxy-5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740374) has the molecular formula C29H28FN9O and a molecular weight of 537.60 g/mol. Its IUPAC name is 4-[6-[4-[(6-ethoxy-5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[(6-ethoxy-5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID126740374
Molecular FormulaC29H28FN9O
Molecular Weight537.60 g/mol
Exact Mass537.24
IUPAC Name4-[6-[4-[(6-ethoxy-5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1ncc(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cc1F
InChIInChI=1S/C29H28FN9O/c1-3-40-29-26(30)10-20(13-33-29)17-37-6-8-38(9-7-37)27-5-4-21(14-32-27)25-11-22(24-16-34-36(2)18-24)19-39-28(25)23(12-31)15-35-39/h4-5,10-11,13-16,18-19H,3,6-9,17H2,1-2H3
InChIKeyGRLQPVSGOBNIFC-UHFFFAOYSA-N
XLogP3.92
TPSA100.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.60
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[6-[4-[(6-ethoxy-5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(6-ethoxy-5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[(6-ethoxy-5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740374) is 4-[6-[4-[(6-ethoxy-5-fluoro-3-pyridinyl)methyl]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-[(6-ethoxy-5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[(6-ethoxy-5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1ncc(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cc1F.
What is the InChIKey of 4-[6-[4-[(6-ethoxy-5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is GRLQPVSGOBNIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN9O/c1-3-40-29-26(30)10-20(13-33-29)17-37-6-8-38(9-7-37)27-5-4-21(14-32-27)25-11-22(24-16-34-36(2)18-24)19-39-28(25)23(12-31)15-35-39/h4-5,10-11,13-16,18-19H,3,6-9,17H2,1-2H3.
What are the key properties of 4-[6-[4-[(6-ethoxy-5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[(6-ethoxy-5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 537.60 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[(6-ethoxy-5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).