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

C24H30N4O3 — CID 24792889

IUPAC3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCCn1c(=O)c(CCC(=O)NCC2CCCO2)c(C)c2c(C)nn(-c3ccccc3)c21
InChIInChI=1S/C24H30N4O3/c1-4-27-23-22(17(3)26-28(23)18-9-6-5-7-10-18)16(2)20(24(27)30)12-13-21(29)25-15-19-11-8-14-31-19/h5-7,9-10,19H,4,8,11-15H2,1-3H3,(H,25,29)
InChIKeyNVXFPHASKSFIBF-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.05
Rot. Bonds7

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

3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 24792889) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID24792889
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCCn1c(=O)c(CCC(=O)NCC2CCCO2)c(C)c2c(C)nn(-c3ccccc3)c21
InChIInChI=1S/C24H30N4O3/c1-4-27-23-22(17(3)26-28(23)18-9-6-5-7-10-18)16(2)20(24(27)30)12-13-21(29)25-15-19-11-8-14-31-19/h5-7,9-10,19H,4,8,11-15H2,1-3H3,(H,25,29)
InChIKeyNVXFPHASKSFIBF-UHFFFAOYSA-N
XLogP3.05
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-Ethyl-5-[3-(4-ethylpiperazin-1-yl)-3-oxidanylidene-propyl]-3,4-dimethyl-1-phenyl-pyrazolo[3,4-b]pyridin-6-one
CID 20961279
3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 20961284
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
3,4,7-Trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one
CID 20961546
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 20961554
3-[7-ethyl-3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 24790920
N-(oxolan-2-ylmethyl)-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24793672
3-methyl-5-[(2-oxolanylmethylamino)methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 135417981
3-Methyl-5-[(4-morpholin-4-yl-phenylamino)-methyl]-1-phenyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
CID 135417996
3-Methyl-5-[(2-morpholin-4-yl-ethylamino)-methyl]-1-phenyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
CID 135450601
ethyl 3-(3,4-dimethyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoate
CID 135515084
7-Ethyl-3,4-dimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one
CID 20961290

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-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(oxolan-2-ylmethyl)propanamide (CID 24792889) is 3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(oxolan-2-ylmethyl)propanamide is CCn1c(=O)c(CCC(=O)NCC2CCCO2)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-(oxolan-2-ylmethyl)propanamide?
The InChIKey is NVXFPHASKSFIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-4-27-23-22(17(3)26-28(23)18-9-6-5-7-10-18)16(2)20(24(27)30)12-13-21(29)25-15-19-11-8-14-31-19/h5-7,9-10,19H,4,8,11-15H2,1-3H3,(H,25,29).
What are the key properties of 3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(oxolan-2-ylmethyl)propanamide?
3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 422.53 g/mol, XLogP of 3.05, 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-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 24792889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).