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

C26H35N5O3 — CID 20961352

IUPAC3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCCn1c(=O)c(CCC(=O)NCCN2CCOCC2)c(C)c2c(C)nn(-c3cccc(C)c3)c21
InChIInChI=1S/C26H35N5O3/c1-5-30-25-24(20(4)28-31(25)21-8-6-7-18(2)17-21)19(3)22(26(30)33)9-10-23(32)27-11-12-29-13-15-34-16-14-29/h6-8,17H,5,9-16H2,1-4H3,(H,27,32)
InChIKeyLWXDAKVLZJJYMV-UHFFFAOYSA-N
MW465.60 g/mol
LogP2.51
Rot. Bonds8

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

3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 20961352) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID20961352
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCCn1c(=O)c(CCC(=O)NCCN2CCOCC2)c(C)c2c(C)nn(-c3cccc(C)c3)c21
InChIInChI=1S/C26H35N5O3/c1-5-30-25-24(20(4)28-31(25)21-8-6-7-18(2)17-21)19(3)22(26(30)33)9-10-23(32)27-11-12-29-13-15-34-16-14-29/h6-8,17H,5,9-16H2,1-4H3,(H,27,32)
InChIKeyLWXDAKVLZJJYMV-UHFFFAOYSA-N
XLogP2.51
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 52.51
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-1-(3-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)propanamide (CID 20961352) is 3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)propanamide is CCn1c(=O)c(CCC(=O)NCCN2CCOCC2)c(C)c2c(C)nn(-c3cccc(C)c3)c21.
What is the InChIKey of 3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is LWXDAKVLZJJYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-5-30-25-24(20(4)28-31(25)21-8-6-7-18(2)17-21)19(3)22(26(30)33)9-10-23(32)27-11-12-29-13-15-34-16-14-29/h6-8,17H,5,9-16H2,1-4H3,(H,27,32).
What are the key properties of 3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)propanamide?
3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 465.60 g/mol, XLogP of 2.51, 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-1-(3-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 20961352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).