N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

C19H24N6O3 — CID 126774787

IUPACN-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)Nc2ncnc3c2c(C)c(C)n3CC2CCCO2)n1
InChIInChI=1S/C19H24N6O3/c1-11-12(2)25(9-14-5-4-8-27-14)19-17(11)18(20-10-21-19)23-15(26)6-7-16-22-13(3)24-28-16/h10,14H,4-9H2,1-3H3,(H,20,21,23,26)
InChIKeyAFOJUGBNLNBAJR-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.49
Rot. Bonds6

About N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 126774787) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID126774787
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC NameN-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)Nc2ncnc3c2c(C)c(C)n3CC2CCCO2)n1
InChIInChI=1S/C19H24N6O3/c1-11-12(2)25(9-14-5-4-8-27-14)19-17(11)18(20-10-21-19)23-15(26)6-7-16-22-13(3)24-28-16/h10,14H,4-9H2,1-3H3,(H,20,21,23,26)
InChIKeyAFOJUGBNLNBAJR-UHFFFAOYSA-N
XLogP2.49
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyloxy-N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide
CID 154785175
1-[5,6-dimethyl-7-[[(2S)-oxolan-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]-3-(4-methoxybutyl)urea
CID 100720101
N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide
CID 154736919
N-(2-cyclopentylsulfanylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86931867
2,5,6-trimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 43337004
N-(3,5-dimethylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86917576
N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 30804092
6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyridine-3-carboxylic acid
CID 61319613
2-cyclopropyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 43360398
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 104871455
N-(4-bromo-3-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86917572
N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 112822319

Frequently Asked Questions

What is the IUPAC name of N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (CID 126774787) is N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is Cc1noc(CCC(=O)Nc2ncnc3c2c(C)c(C)n3CC2CCCO2)n1.
What is the InChIKey of N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is AFOJUGBNLNBAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-11-12(2)25(9-14-5-4-8-27-14)19-17(11)18(20-10-21-19)23-15(26)6-7-16-22-13(3)24-28-16/h10,14H,4-9H2,1-3H3,(H,20,21,23,26).
What are the key properties of N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 384.44 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 126774787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).