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

C23H25ClN8O — CID 127050854

IUPAC1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-ethylpyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCCc1nn(C2CCN(C(C)=O)CC2)cc1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1
InChIInChI=1S/C23H25ClN8O/c1-3-19-20(14-32(29-19)16-7-10-30(11-8-16)15(2)33)27-23-25-13-18(24)22(28-23)17-12-26-31-9-5-4-6-21(17)31/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,25,27,28)
InChIKeyGVBSYPNRBBBGNI-UHFFFAOYSA-N
MW464.96 g/mol
LogP4.13
Rot. Bonds5

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

1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-ethylpyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 127050854) has the molecular formula C23H25ClN8O and a molecular weight of 464.96 g/mol. Its IUPAC name is 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-ethylpyrazol-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-ethylpyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID127050854
Molecular FormulaC23H25ClN8O
Molecular Weight464.96 g/mol
Exact Mass464.18
IUPAC Name1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-ethylpyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCCc1nn(C2CCN(C(C)=O)CC2)cc1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1
InChIInChI=1S/C23H25ClN8O/c1-3-19-20(14-32(29-19)16-7-10-30(11-8-16)15(2)33)27-23-25-13-18(24)22(28-23)17-12-26-31-9-5-4-6-21(17)31/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,25,27,28)
InChIKeyGVBSYPNRBBBGNI-UHFFFAOYSA-N
XLogP4.13
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-ethylpyrazol-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-ethylpyrazol-1-yl]piperidin-1-yl]ethanone (CID 127050854) is 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-ethylpyrazol-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-ethylpyrazol-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-ethylpyrazol-1-yl]piperidin-1-yl]ethanone is CCc1nn(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-ethylpyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is GVBSYPNRBBBGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN8O/c1-3-19-20(14-32(29-19)16-7-10-30(11-8-16)15(2)33)27-23-25-13-18(24)22(28-23)17-12-26-31-9-5-4-6-21(17)31/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,25,27,28).
What are the key properties of 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-ethylpyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-ethylpyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 464.96 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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-ethylpyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 127050854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).