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-hydroxyethanone

C23H25ClN8O2 — CID 127052226

IUPAC1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone
SMILESCc1nn(C2CCN(C(=O)CO)CC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1
InChIInChI=1S/C23H25ClN8O2/c1-14-21(15(2)32(29-14)16-6-9-30(10-7-16)20(34)13-33)27-23-25-12-18(24)22(28-23)17-11-26-31-8-4-3-5-19(17)31/h3-5,8,11-12,16,33H,6-7,9-10,13H2,1-2H3,(H,25,27,28)
InChIKeyWNDWJPYYIUKFOF-UHFFFAOYSA-N
MW480.96 g/mol
LogP3.16
Rot. Bonds5

About 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-hydroxyethanone

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-hydroxyethanone (PubChem CID 127052226) 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]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone
PubChem CID127052226
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]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone
SMILESCc1nn(C2CCN(C(=O)CO)CC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1
InChIInChI=1S/C23H25ClN8O2/c1-14-21(15(2)32(29-14)16-6-9-30(10-7-16)20(34)13-33)27-23-25-12-18(24)22(28-23)17-11-26-31-8-4-3-5-19(17)31/h3-5,8,11-12,16,33H,6-7,9-10,13H2,1-2H3,(H,25,27,28)
InChIKeyWNDWJPYYIUKFOF-UHFFFAOYSA-N
XLogP3.16
TPSA113.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.96
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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-hydroxyethanone 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]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of 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-hydroxyethanone (CID 127052226) is 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-hydroxyethanone.
What is the SMILES notation for 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-hydroxyethanone?
The canonical SMILES for 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-hydroxyethanone is Cc1nn(C2CCN(C(=O)CO)CC2)c(C)c1Nc1ncc(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]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone?
The InChIKey is WNDWJPYYIUKFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN8O2/c1-14-21(15(2)32(29-14)16-6-9-30(10-7-16)20(34)13-33)27-23-25-12-18(24)22(28-23)17-11-26-31-8-4-3-5-19(17)31/h3-5,8,11-12,16,33H,6-7,9-10,13H2,1-2H3,(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]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone?
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-hydroxyethanone has a molecular weight of 480.96 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 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]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 127052226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).