N-(1-hydroxy-4-methylpentan-3-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide

C18H28N4O3 — CID 136899017

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nn(C)c2[nH]c(=O)c(CCC(=O)NC(CCO)C(C)C)c(C)c12
InChIInChI=1S/C18H28N4O3/c1-10(2)14(8-9-23)19-15(24)7-6-13-11(3)16-12(4)21-22(5)17(16)20-18(13)25/h10,14,23H,6-9H2,1-5H3,(H,19,24)(H,20,25)
InChIKeyYYJJEMXTKYPABI-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.33
Rot. Bonds7

About N-(1-hydroxy-4-methylpentan-3-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide

N-(1-hydroxy-4-methylpentan-3-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 136899017) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID136899017
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nn(C)c2[nH]c(=O)c(CCC(=O)NC(CCO)C(C)C)c(C)c12
InChIInChI=1S/C18H28N4O3/c1-10(2)14(8-9-23)19-15(24)7-6-13-11(3)16-12(4)21-22(5)17(16)20-18(13)25/h10,14,23H,6-9H2,1-5H3,(H,19,24)(H,20,25)
InChIKeyYYJJEMXTKYPABI-UHFFFAOYSA-N
XLogP1.33
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-methyl-2-[3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoylamino]butanoate
CID 136844122
N-[(1S)-1-(furan-2-yl)ethyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 136898177
N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 79252559
5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 136789627
N-(1H-benzimidazol-2-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 135901411
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 136528797
N-[(1-phenylcyclopropyl)methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 135938918
N-(5-butyl-1H-pyrazol-3-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 136579663
N-(4-fluoro-2-methoxyphenyl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 136844124
N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 136924450
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 135994888
N-(1-hydroxy-4-methylpentan-3-yl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 103782323

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 136899017) is N-(1-hydroxy-4-methylpentan-3-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide is Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NC(CCO)C(C)C)c(C)c12.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is YYJJEMXTKYPABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-10(2)14(8-9-23)19-15(24)7-6-13-11(3)16-12(4)21-22(5)17(16)20-18(13)25/h10,14,23H,6-9H2,1-5H3,(H,19,24)(H,20,25).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-(1-hydroxy-4-methylpentan-3-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 348.45 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 136899017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).