2-amino-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

C23H26ClN9O — CID 127051126

IUPAC2-amino-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
SMILESCc1nn(C2CCN(C(=O)CN)CC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1
InChIInChI=1S/C23H26ClN9O/c1-14-21(15(2)33(30-14)16-6-9-31(10-7-16)20(34)11-25)28-23-26-13-18(24)22(29-23)17-12-27-32-8-4-3-5-19(17)32/h3-5,8,12-13,16H,6-7,9-11,25H2,1-2H3,(H,26,28,29)
InChIKeyILEKZDZXDKJKKW-UHFFFAOYSA-N
MW479.98 g/mol
LogP3.12
Rot. Bonds5

About 2-amino-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

2-amino-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 (PubChem CID 127051126) has the molecular formula C23H26ClN9O and a molecular weight of 479.98 g/mol. Its IUPAC name is 2-amino-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.

Molecular Properties

Compound Name2-amino-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
PubChem CID127051126
Molecular FormulaC23H26ClN9O
Molecular Weight479.98 g/mol
Exact Mass479.19
IUPAC Name2-amino-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
SMILESCc1nn(C2CCN(C(=O)CN)CC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1
InChIInChI=1S/C23H26ClN9O/c1-14-21(15(2)33(30-14)16-6-9-31(10-7-16)20(34)11-25)28-23-26-13-18(24)22(29-23)17-12-27-32-8-4-3-5-19(17)32/h3-5,8,12-13,16H,6-7,9-11,25H2,1-2H3,(H,26,28,29)
InChIKeyILEKZDZXDKJKKW-UHFFFAOYSA-N
XLogP3.12
TPSA119.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.98
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-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?
The IUPAC name of 2-amino-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 127051126) is 2-amino-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.
What is the SMILES notation for 2-amino-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?
The canonical SMILES for 2-amino-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 is Cc1nn(C2CCN(C(=O)CN)CC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1.
What is the InChIKey of 2-amino-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?
The InChIKey is ILEKZDZXDKJKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN9O/c1-14-21(15(2)33(30-14)16-6-9-31(10-7-16)20(34)11-25)28-23-26-13-18(24)22(29-23)17-12-27-32-8-4-3-5-19(17)32/h3-5,8,12-13,16H,6-7,9-11,25H2,1-2H3,(H,26,28,29).
What are the key properties of 2-amino-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?
2-amino-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 has a molecular weight of 479.98 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-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 is sourced from PubChem (CID 127051126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).