ethyl 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoate

C20H23N3O2 — CID 20855077

IUPACethyl 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoate
SMILESCCOC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccccc2)c1C
InChIInChI=1S/C20H23N3O2/c1-5-25-18(24)12-11-17-13(2)19-15(4)22-23(20(19)21-14(17)3)16-9-7-6-8-10-16/h6-10H,5,11-12H2,1-4H3
InChIKeyRHXIYUSNGKSPLQ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.84
Rot. Bonds5

About ethyl 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoate

ethyl 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoate (PubChem CID 20855077) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is ethyl 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoate
PubChem CID20855077
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Nameethyl 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoate
SMILESCCOC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccccc2)c1C
InChIInChI=1S/C20H23N3O2/c1-5-25-18(24)12-11-17-13(2)19-15(4)22-23(20(19)21-14(17)3)16-9-7-6-8-10-16/h6-10H,5,11-12H2,1-4H3
InChIKeyRHXIYUSNGKSPLQ-UHFFFAOYSA-N
XLogP3.84
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoate?
The IUPAC name of ethyl 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoate (CID 20855077) is ethyl 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoate.
What is the SMILES notation for ethyl 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoate?
The canonical SMILES for ethyl 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoate is CCOC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccccc2)c1C.
What is the InChIKey of ethyl 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoate?
The InChIKey is RHXIYUSNGKSPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-5-25-18(24)12-11-17-13(2)19-15(4)22-23(20(19)21-14(17)3)16-9-7-6-8-10-16/h6-10H,5,11-12H2,1-4H3.
What are the key properties of ethyl 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoate?
ethyl 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoate has a molecular weight of 337.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoate is sourced from PubChem (CID 20855077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).