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

C25H32N4O3 — CID 24790920

IUPAC3-[7-ethyl-3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCCn1c(=O)c(CCC(=O)NCC2CCCO2)c(C)c2c(C)nn(-c3ccc(C)cc3)c21
InChIInChI=1S/C25H32N4O3/c1-5-28-24-23(18(4)27-29(24)19-10-8-16(2)9-11-19)17(3)21(25(28)31)12-13-22(30)26-15-20-7-6-14-32-20/h8-11,20H,5-7,12-15H2,1-4H3,(H,26,30)
InChIKeyWCTYZDNVGMFVER-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.36
Rot. Bonds7

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

3-[7-ethyl-3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 24790920) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-[7-ethyl-3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[7-ethyl-3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID24790920
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name3-[7-ethyl-3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCCn1c(=O)c(CCC(=O)NCC2CCCO2)c(C)c2c(C)nn(-c3ccc(C)cc3)c21
InChIInChI=1S/C25H32N4O3/c1-5-28-24-23(18(4)27-29(24)19-10-8-16(2)9-11-19)17(3)21(25(28)31)12-13-22(30)26-15-20-7-6-14-32-20/h8-11,20H,5-7,12-15H2,1-4H3,(H,26,30)
InChIKeyWCTYZDNVGMFVER-UHFFFAOYSA-N
XLogP3.36
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[7-ethyl-3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[7-ethyl-3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 24790920) is 3-[7-ethyl-3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[7-ethyl-3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[7-ethyl-3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide is CCn1c(=O)c(CCC(=O)NCC2CCCO2)c(C)c2c(C)nn(-c3ccc(C)cc3)c21.
What is the InChIKey of 3-[7-ethyl-3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is WCTYZDNVGMFVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-5-28-24-23(18(4)27-29(24)19-10-8-16(2)9-11-19)17(3)21(25(28)31)12-13-22(30)26-15-20-7-6-14-32-20/h8-11,20H,5-7,12-15H2,1-4H3,(H,26,30).
What are the key properties of 3-[7-ethyl-3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide?
3-[7-ethyl-3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 436.56 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-ethyl-3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 24790920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).