4-chloro-7-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine

C17H13ClFN5 — CID 134535733

IUPAC4-chloro-7-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine
SMILESCc1cn(Cc2cnc(-c3ccccc3F)[nH]2)c2ncnc(Cl)c12
InChIInChI=1S/C17H13ClFN5/c1-10-7-24(17-14(10)15(18)21-9-22-17)8-11-6-20-16(23-11)12-4-2-3-5-13(12)19/h2-7,9H,8H2,1H3,(H,20,23)
InChIKeyNHUCCAJSIXWOEJ-UHFFFAOYSA-N
MW341.78 g/mol
LogP3.97
Rot. Bonds3

About 4-chloro-7-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine

4-chloro-7-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 134535733) has the molecular formula C17H13ClFN5 and a molecular weight of 341.78 g/mol. Its IUPAC name is 4-chloro-7-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-7-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine
PubChem CID134535733
Molecular FormulaC17H13ClFN5
Molecular Weight341.78 g/mol
Exact Mass341.08
IUPAC Name4-chloro-7-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine
SMILESCc1cn(Cc2cnc(-c3ccccc3F)[nH]2)c2ncnc(Cl)c12
InChIInChI=1S/C17H13ClFN5/c1-10-7-24(17-14(10)15(18)21-9-22-17)8-11-6-20-16(23-11)12-4-2-3-5-13(12)19/h2-7,9H,8H2,1H3,(H,20,23)
InChIKeyNHUCCAJSIXWOEJ-UHFFFAOYSA-N
XLogP3.97
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.78
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-7-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine (CID 134535733) is 4-chloro-7-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-7-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-7-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine is Cc1cn(Cc2cnc(-c3ccccc3F)[nH]2)c2ncnc(Cl)c12.
What is the InChIKey of 4-chloro-7-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is NHUCCAJSIXWOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN5/c1-10-7-24(17-14(10)15(18)21-9-22-17)8-11-6-20-16(23-11)12-4-2-3-5-13(12)19/h2-7,9H,8H2,1H3,(H,20,23).
What are the key properties of 4-chloro-7-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine?
4-chloro-7-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 341.78 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 134535733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).