4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C28H24FN9O — CID 126740163

IUPAC4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(C(=O)Cc5ccc(F)cn5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C28H24FN9O/c1-35-17-22(15-33-35)20-10-25(28-21(12-30)14-34-38(28)18-20)19-2-5-26(32-13-19)36-6-8-37(9-7-36)27(39)11-24-4-3-23(29)16-31-24/h2-5,10,13-18H,6-9,11H2,1H3
InChIKeySBCVDYQCZVUOAI-UHFFFAOYSA-N
MW521.56 g/mol
LogP3.09
Rot. Bonds5

About 4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740163) has the molecular formula C28H24FN9O and a molecular weight of 521.56 g/mol. Its IUPAC name is 4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID126740163
Molecular FormulaC28H24FN9O
Molecular Weight521.56 g/mol
Exact Mass521.21
IUPAC Name4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(C(=O)Cc5ccc(F)cn5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C28H24FN9O/c1-35-17-22(15-33-35)20-10-25(28-21(12-30)14-34-38(28)18-20)19-2-5-26(32-13-19)36-6-8-37(9-7-36)27(39)11-24-4-3-23(29)16-31-24/h2-5,10,13-18H,6-9,11H2,1H3
InChIKeySBCVDYQCZVUOAI-UHFFFAOYSA-N
XLogP3.09
TPSA108.24 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.56
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]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-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740163) is 4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]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-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)Cc5ccc(F)cn5)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is SBCVDYQCZVUOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN9O/c1-35-17-22(15-33-35)20-10-25(28-21(12-30)14-34-38(28)18-20)19-2-5-26(32-13-19)36-6-8-37(9-7-36)27(39)11-24-4-3-23(29)16-31-24/h2-5,10,13-18H,6-9,11H2,1H3.
What are the key properties of 4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 521.56 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).