1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxypyrazol-1-yl]piperidin-1-yl]ethanone

C22H23ClN8O2 — CID 127051620

IUPAC1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxypyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCOc1nn(C2CCN(C(C)=O)CC2)cc1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1
InChIInChI=1S/C22H23ClN8O2/c1-14(32)29-9-6-15(7-10-29)31-13-18(21(28-31)33-2)26-22-24-12-17(23)20(27-22)16-11-25-30-8-4-3-5-19(16)30/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,24,26,27)
InChIKeyDGKDQGNOYZSJDK-UHFFFAOYSA-N
MW466.93 g/mol
LogP3.58
Rot. Bonds5

About 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxypyrazol-1-yl]piperidin-1-yl]ethanone

1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxypyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 127051620) has the molecular formula C22H23ClN8O2 and a molecular weight of 466.93 g/mol. Its IUPAC name is 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxypyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxypyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID127051620
Molecular FormulaC22H23ClN8O2
Molecular Weight466.93 g/mol
Exact Mass466.16
IUPAC Name1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxypyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCOc1nn(C2CCN(C(C)=O)CC2)cc1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1
InChIInChI=1S/C22H23ClN8O2/c1-14(32)29-9-6-15(7-10-29)31-13-18(21(28-31)33-2)26-22-24-12-17(23)20(27-22)16-11-25-30-8-4-3-5-19(16)30/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,24,26,27)
InChIKeyDGKDQGNOYZSJDK-UHFFFAOYSA-N
XLogP3.58
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.93
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxypyrazol-1-yl]piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxypyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxypyrazol-1-yl]piperidin-1-yl]ethanone (CID 127051620) is 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxypyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxypyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxypyrazol-1-yl]piperidin-1-yl]ethanone is COc1nn(C2CCN(C(C)=O)CC2)cc1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1.
What is the InChIKey of 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxypyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is DGKDQGNOYZSJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN8O2/c1-14(32)29-9-6-15(7-10-29)31-13-18(21(28-31)33-2)26-22-24-12-17(23)20(27-22)16-11-25-30-8-4-3-5-19(16)30/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,24,26,27).
What are the key properties of 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxypyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxypyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 466.93 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxypyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 127051620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).