5-chloro-N-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine

C21H23ClN8 — CID 127050851

IUPAC5-chloro-N-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine
SMILESCc1nn(C2CCNCC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1
InChIInChI=1S/C21H23ClN8/c1-13-19(14(2)30(28-13)15-6-8-23-9-7-15)26-21-24-12-17(22)20(27-21)16-11-25-29-10-4-3-5-18(16)29/h3-5,10-12,15,23H,6-9H2,1-2H3,(H,24,26,27)
InChIKeyYAZNPWINUJRGSE-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.93
Rot. Bonds4

About 5-chloro-N-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine

5-chloro-N-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine (PubChem CID 127050851) has the molecular formula C21H23ClN8 and a molecular weight of 422.92 g/mol. Its IUPAC name is 5-chloro-N-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine
PubChem CID127050851
Molecular FormulaC21H23ClN8
Molecular Weight422.92 g/mol
Exact Mass422.17
IUPAC Name5-chloro-N-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine
SMILESCc1nn(C2CCNCC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1
InChIInChI=1S/C21H23ClN8/c1-13-19(14(2)30(28-13)15-6-8-23-9-7-15)26-21-24-12-17(22)20(27-21)16-11-25-29-10-4-3-5-18(16)29/h3-5,10-12,15,23H,6-9H2,1-2H3,(H,24,26,27)
InChIKeyYAZNPWINUJRGSE-UHFFFAOYSA-N
XLogP3.93
TPSA84.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine (CID 127050851) is 5-chloro-N-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine is Cc1nn(C2CCNCC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1.
What is the InChIKey of 5-chloro-N-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine?
The InChIKey is YAZNPWINUJRGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN8/c1-13-19(14(2)30(28-13)15-6-8-23-9-7-15)26-21-24-12-17(22)20(27-21)16-11-25-29-10-4-3-5-18(16)29/h3-5,10-12,15,23H,6-9H2,1-2H3,(H,24,26,27).
What are the key properties of 5-chloro-N-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine?
5-chloro-N-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine has a molecular weight of 422.92 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 127050851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).