5-cyclopropyl-2-(4-fluorophenyl)-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine

C23H21FN4O2S — CID 175699316

IUPAC5-cyclopropyl-2-(4-fluorophenyl)-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(S(=O)(=O)n2c(C)c(C3CC3)c3c(N)nc(-c4ccc(F)cc4)nc32)cc1
InChIInChI=1S/C23H21FN4O2S/c1-13-3-11-18(12-4-13)31(29,30)28-14(2)19(15-5-6-15)20-21(25)26-22(27-23(20)28)16-7-9-17(24)10-8-16/h3-4,7-12,15H,5-6H2,1-2H3,(H2,25,26,27)
InChIKeyPNDQKBATWVYZPP-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.55
Rot. Bonds4

About 5-cyclopropyl-2-(4-fluorophenyl)-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine

5-cyclopropyl-2-(4-fluorophenyl)-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 175699316) has the molecular formula C23H21FN4O2S and a molecular weight of 436.51 g/mol. Its IUPAC name is 5-cyclopropyl-2-(4-fluorophenyl)-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-2-(4-fluorophenyl)-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID175699316
Molecular FormulaC23H21FN4O2S
Molecular Weight436.51 g/mol
Exact Mass436.14
IUPAC Name5-cyclopropyl-2-(4-fluorophenyl)-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(S(=O)(=O)n2c(C)c(C3CC3)c3c(N)nc(-c4ccc(F)cc4)nc32)cc1
InChIInChI=1S/C23H21FN4O2S/c1-13-3-11-18(12-4-13)31(29,30)28-14(2)19(15-5-6-15)20-21(25)26-22(27-23(20)28)16-7-9-17(24)10-8-16/h3-4,7-12,15H,5-6H2,1-2H3,(H2,25,26,27)
InChIKeyPNDQKBATWVYZPP-UHFFFAOYSA-N
XLogP4.55
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-2-(4-fluorophenyl)-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine 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

5-(3-chlorophenyl)-6-methyl-7-(4-methylphenyl)sulfonyl-2-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 175699340
5-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 50835872
3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine
CID 12531782
5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine
CID 828557
6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine
CID 66302764
2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 164682677
6-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine
CID 70871242
1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one
CID 53051421
(2R)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 101342795
(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438182
5-(4-fluorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 71832783
ethane;1-(4-fluorophenyl)sulfonyl-5-methyl-4-(4-methylphenyl)triazole
CID 164925435

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(4-fluorophenyl)-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-cyclopropyl-2-(4-fluorophenyl)-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine (CID 175699316) is 5-cyclopropyl-2-(4-fluorophenyl)-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-cyclopropyl-2-(4-fluorophenyl)-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-cyclopropyl-2-(4-fluorophenyl)-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccc(S(=O)(=O)n2c(C)c(C3CC3)c3c(N)nc(-c4ccc(F)cc4)nc32)cc1.
What is the InChIKey of 5-cyclopropyl-2-(4-fluorophenyl)-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is PNDQKBATWVYZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2S/c1-13-3-11-18(12-4-13)31(29,30)28-14(2)19(15-5-6-15)20-21(25)26-22(27-23(20)28)16-7-9-17(24)10-8-16/h3-4,7-12,15H,5-6H2,1-2H3,(H2,25,26,27).
What are the key properties of 5-cyclopropyl-2-(4-fluorophenyl)-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine?
5-cyclopropyl-2-(4-fluorophenyl)-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 436.51 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(4-fluorophenyl)-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 175699316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).