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

C23H25ClN8O2 — CID 127050853

IUPAC1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-ethoxypyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCCOc1nn(C2CCN(C(C)=O)CC2)cc1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1
InChIInChI=1S/C23H25ClN8O2/c1-3-34-22-19(14-32(29-22)16-7-10-30(11-8-16)15(2)33)27-23-25-13-18(24)21(28-23)17-12-26-31-9-5-4-6-20(17)31/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,25,27,28)
InChIKeyDLKLSEQEOIJHQF-UHFFFAOYSA-N
MW480.96 g/mol
LogP3.97
Rot. Bonds6

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

1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-ethoxypyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 127050853) has the molecular formula C23H25ClN8O2 and a molecular weight of 480.96 g/mol. Its IUPAC name is 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-ethoxypyrazol-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-ethoxypyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID127050853
Molecular FormulaC23H25ClN8O2
Molecular Weight480.96 g/mol
Exact Mass480.18
IUPAC Name1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-ethoxypyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCCOc1nn(C2CCN(C(C)=O)CC2)cc1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1
InChIInChI=1S/C23H25ClN8O2/c1-3-34-22-19(14-32(29-22)16-7-10-30(11-8-16)15(2)33)27-23-25-13-18(24)21(28-23)17-12-26-31-9-5-4-6-20(17)31/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,25,27,28)
InChIKeyDLKLSEQEOIJHQF-UHFFFAOYSA-N
XLogP3.97
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.96
LogP ≤ 53.97
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-ethoxypyrazol-1-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

Golidocitinib
CID 126715380
2-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 122177113
1-(4-(4-(5-Chloro-4-(pyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-ylamino)-3-methoxyphenyl)piperazin-1-yl)ethanone
CID 59291203
(2R)-N-(3-{2-[(3-ethoxy-1-methyl-1H-pyrazol-4-yl)amino]-5-methylpyrimidin-4-yl}-1H-indol-7-yl)-2-(4-methylpiperazin-1-yl)butanamide
CID 126715367
(2R)-2-[(2S)-2,4-dimethylpiperazin-1-yl]-N-(3-{2-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-1H-indol-7-yl)propanamide
CID 126715387
(2R)-N-(3-{2-[(3-Methoxy-1-methyl-1H-pyrazol-4-yl)amino]-5-methylpyrimidin-4-yl}-1H-indol-7-yl)-2-(4-methylpiperazin-1-yl)propanamide
CID 126715392
(2R)-N-(3-{5-chloro-2-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-1H-indol-7-yl)-2-(4-methylpiperazin-1-yl)propanamide
CID 126715400
(2R)-1-[4-[4-[(5-Chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 126970673
US10759793, Example 45
CID 124125787
1-[4-[4-[(5-Chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone
CID 127049475
(2S)-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 127049476
1-[4-[4-[(5-Chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]ethanone
CID 127050852

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-ethoxypyrazol-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-ethoxypyrazol-1-yl]piperidin-1-yl]ethanone (CID 127050853) is 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-ethoxypyrazol-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-ethoxypyrazol-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-ethoxypyrazol-1-yl]piperidin-1-yl]ethanone is CCOc1nn(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-ethoxypyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is DLKLSEQEOIJHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN8O2/c1-3-34-22-19(14-32(29-22)16-7-10-30(11-8-16)15(2)33)27-23-25-13-18(24)21(28-23)17-12-26-31-9-5-4-6-20(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-ethoxypyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-ethoxypyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 480.96 g/mol, XLogP of 3.97, 6 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-ethoxypyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 127050853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).