N-[(2R)-butan-2-yl]-2-[[7-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl]acetamide

C18H19FN4OS — CID 95394717

IUPACN-[(2R)-butan-2-yl]-2-[[7-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl]acetamide
SMILESCC[C@@H](C)NC(=O)CSc1ncnc2c(-c3ccc(F)cc3)c[nH]c12
InChIInChI=1S/C18H19FN4OS/c1-3-11(2)23-15(24)9-25-18-17-16(21-10-22-18)14(8-20-17)12-4-6-13(19)7-5-12/h4-8,10-11,20H,3,9H2,1-2H3,(H,23,24)/t11-/m1/s1
InChIKeyZEOVMLNSTMYMIU-LLVKDONJSA-N
MW358.44 g/mol
LogP3.77
Rot. Bonds6

About N-[(2R)-butan-2-yl]-2-[[7-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl]acetamide

N-[(2R)-butan-2-yl]-2-[[7-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl]acetamide (PubChem CID 95394717) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[[7-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[[7-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl]acetamide
PubChem CID95394717
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC NameN-[(2R)-butan-2-yl]-2-[[7-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl]acetamide
SMILESCC[C@@H](C)NC(=O)CSc1ncnc2c(-c3ccc(F)cc3)c[nH]c12
InChIInChI=1S/C18H19FN4OS/c1-3-11(2)23-15(24)9-25-18-17-16(21-10-22-18)14(8-20-17)12-4-6-13(19)7-5-12/h4-8,10-11,20H,3,9H2,1-2H3,(H,23,24)/t11-/m1/s1
InChIKeyZEOVMLNSTMYMIU-LLVKDONJSA-N
XLogP3.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-butan-2-yl]-2-[[7-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl]acetamide 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

N-(4-fluorophenyl)-2-[[7-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl]acetamide
CID 53131795
N-[(2S)-butan-2-yl]-2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetamide
CID 7468820
N-(2-ethylphenyl)-2-[[7-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl]acetamide
CID 53367029
N-[(2S)-butan-2-yl]-2-[(3-butyl-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 100671346
N-(2-chlorophenyl)-2-[(7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide
CID 53366998
N-(3-methylphenyl)-2-[(7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide
CID 53011904
N-[(2R)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591188
N-[(2S)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591185
N-[(2,3-dimethoxyphenyl)methyl]-2-[(7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide
CID 71802627
2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 4130449
2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide
CID 43300815
N-butan-2-yl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 4005509

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[[7-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl]acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[[7-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl]acetamide (CID 95394717) is N-[(2R)-butan-2-yl]-2-[[7-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[[7-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[[7-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl]acetamide is CC[C@@H](C)NC(=O)CSc1ncnc2c(-c3ccc(F)cc3)c[nH]c12.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[[7-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl]acetamide?
The InChIKey is ZEOVMLNSTMYMIU-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-3-11(2)23-15(24)9-25-18-17-16(21-10-22-18)14(8-20-17)12-4-6-13(19)7-5-12/h4-8,10-11,20H,3,9H2,1-2H3,(H,23,24)/t11-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[[7-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl]acetamide?
N-[(2R)-butan-2-yl]-2-[[7-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl]acetamide has a molecular weight of 358.44 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[[7-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 95394717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).