4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile

C24H22FN7O2 — CID 134435659

IUPAC4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cc(-c2cnc(N3CCC(O)(Cc4ncccc4F)CC3)cn2)c2c(C#N)cnn2c1
InChIInChI=1S/C24H22FN7O2/c1-34-17-9-18(23-16(11-26)12-30-32(23)15-17)21-13-29-22(14-28-21)31-7-4-24(33,5-8-31)10-20-19(25)3-2-6-27-20/h2-3,6,9,12-15,33H,4-5,7-8,10H2,1H3
InChIKeyCKELKVAZJNXCBN-UHFFFAOYSA-N
MW459.49 g/mol
LogP2.78
Rot. Bonds5

About 4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile

4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435659) has the molecular formula C24H22FN7O2 and a molecular weight of 459.49 g/mol. Its IUPAC name is 4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134435659
Molecular FormulaC24H22FN7O2
Molecular Weight459.49 g/mol
Exact Mass459.18
IUPAC Name4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cc(-c2cnc(N3CCC(O)(Cc4ncccc4F)CC3)cn2)c2c(C#N)cnn2c1
InChIInChI=1S/C24H22FN7O2/c1-34-17-9-18(23-16(11-26)12-30-32(23)15-17)21-13-29-22(14-28-21)31-7-4-24(33,5-8-31)10-20-19(25)3-2-6-27-20/h2-3,6,9,12-15,33H,4-5,7-8,10H2,1H3
InChIKeyCKELKVAZJNXCBN-UHFFFAOYSA-N
XLogP2.78
TPSA112.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435659) is 4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile is COc1cc(-c2cnc(N3CCC(O)(Cc4ncccc4F)CC3)cn2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is CKELKVAZJNXCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O2/c1-34-17-9-18(23-16(11-26)12-30-32(23)15-17)21-13-29-22(14-28-21)31-7-4-24(33,5-8-31)10-20-19(25)3-2-6-27-20/h2-3,6,9,12-15,33H,4-5,7-8,10H2,1H3.
What are the key properties of 4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 459.49 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).