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

C27H24FN9 — CID 126740424

IUPAC4-[6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccncc5F)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C27H24FN9/c1-34-16-23(14-32-34)21-10-24(27-22(11-29)13-33-37(27)18-21)19-2-3-26(31-12-19)36-8-6-35(7-9-36)17-20-4-5-30-15-25(20)28/h2-5,10,12-16,18H,6-9,17H2,1H3
InChIKeyVQZRQEYUJPKPIU-UHFFFAOYSA-N
MW493.55 g/mol
LogP3.52
Rot. Bonds5

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

4-[6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740424) has the molecular formula C27H24FN9 and a molecular weight of 493.55 g/mol. Its IUPAC name is 4-[6-[4-[(3-fluoro-4-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-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID126740424
Molecular FormulaC27H24FN9
Molecular Weight493.55 g/mol
Exact Mass493.21
IUPAC Name4-[6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccncc5F)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C27H24FN9/c1-34-16-23(14-32-34)21-10-24(27-22(11-29)13-33-37(27)18-21)19-2-3-26(31-12-19)36-8-6-35(7-9-36)17-20-4-5-30-15-25(20)28/h2-5,10,12-16,18H,6-9,17H2,1H3
InChIKeyVQZRQEYUJPKPIU-UHFFFAOYSA-N
XLogP3.52
TPSA91.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 53.52
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-fluoro-4-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-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740424) is 4-[6-[4-[(3-fluoro-4-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-[(3-fluoro-4-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-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccncc5F)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 4-[6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is VQZRQEYUJPKPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN9/c1-34-16-23(14-32-34)21-10-24(27-22(11-29)13-33-37(27)18-21)19-2-3-26(31-12-19)36-8-6-35(7-9-36)17-20-4-5-30-15-25(20)28/h2-5,10,12-16,18H,6-9,17H2,1H3.
What are the key properties of 4-[6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 493.55 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).