3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)propanamide

C25H33N5O3 — CID 20961284

IUPAC3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCCn1c(=O)c(CCC(=O)NCCN2CCOCC2)c(C)c2c(C)nn(-c3ccccc3)c21
InChIInChI=1S/C25H33N5O3/c1-4-29-24-23(19(3)27-30(24)20-8-6-5-7-9-20)18(2)21(25(29)32)10-11-22(31)26-12-13-28-14-16-33-17-15-28/h5-9H,4,10-17H2,1-3H3,(H,26,31)
InChIKeyOBVCEJOMDIOCLO-UHFFFAOYSA-N
MW451.57 g/mol
LogP2.20
Rot. Bonds8

About 3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)propanamide

3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 20961284) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID20961284
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCCn1c(=O)c(CCC(=O)NCCN2CCOCC2)c(C)c2c(C)nn(-c3ccccc3)c21
InChIInChI=1S/C25H33N5O3/c1-4-29-24-23(19(3)27-30(24)20-8-6-5-7-9-20)18(2)21(25(29)32)10-11-22(31)26-12-13-28-14-16-33-17-15-28/h5-9H,4,10-17H2,1-3H3,(H,26,31)
InChIKeyOBVCEJOMDIOCLO-UHFFFAOYSA-N
XLogP2.20
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)propanamide (CID 20961284) is 3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)propanamide is CCn1c(=O)c(CCC(=O)NCCN2CCOCC2)c(C)c2c(C)nn(-c3ccccc3)c21.
What is the InChIKey of 3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is OBVCEJOMDIOCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-4-29-24-23(19(3)27-30(24)20-8-6-5-7-9-20)18(2)21(25(29)32)10-11-22(31)26-12-13-28-14-16-33-17-15-28/h5-9H,4,10-17H2,1-3H3,(H,26,31).
What are the key properties of 3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)propanamide?
3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 451.57 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 20961284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).