2-N-[5-fluoro-6-(4-methylimidazol-1-yl)-3-pyridinyl]-7-(4-fluorophenyl)-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C24H24F2N8 — CID 139415505

IUPAC2-N-[5-fluoro-6-(4-methylimidazol-1-yl)-3-pyridinyl]-7-(4-fluorophenyl)-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cnc(-n3cnc(C)c3)c(F)c2)nc2c1C(C)(C)CN2c1ccc(F)cc1
InChIInChI=1S/C24H24F2N8/c1-14-11-33(13-29-14)21-18(26)9-16(10-28-21)30-23-31-20(27-4)19-22(32-23)34(12-24(19,2)3)17-7-5-15(25)6-8-17/h5-11,13H,12H2,1-4H3,(H2,27,30,31,32)
InChIKeyKXJSRKIYGLAJTM-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.86
Rot. Bonds5

About 2-N-[5-fluoro-6-(4-methylimidazol-1-yl)-3-pyridinyl]-7-(4-fluorophenyl)-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

2-N-[5-fluoro-6-(4-methylimidazol-1-yl)-3-pyridinyl]-7-(4-fluorophenyl)-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 139415505) has the molecular formula C24H24F2N8 and a molecular weight of 462.51 g/mol. Its IUPAC name is 2-N-[5-fluoro-6-(4-methylimidazol-1-yl)-3-pyridinyl]-7-(4-fluorophenyl)-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[5-fluoro-6-(4-methylimidazol-1-yl)-3-pyridinyl]-7-(4-fluorophenyl)-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID139415505
Molecular FormulaC24H24F2N8
Molecular Weight462.51 g/mol
Exact Mass462.21
IUPAC Name2-N-[5-fluoro-6-(4-methylimidazol-1-yl)-3-pyridinyl]-7-(4-fluorophenyl)-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cnc(-n3cnc(C)c3)c(F)c2)nc2c1C(C)(C)CN2c1ccc(F)cc1
InChIInChI=1S/C24H24F2N8/c1-14-11-33(13-29-14)21-18(26)9-16(10-28-21)30-23-31-20(27-4)19-22(32-23)34(12-24(19,2)3)17-7-5-15(25)6-8-17/h5-11,13H,12H2,1-4H3,(H2,27,30,31,32)
InChIKeyKXJSRKIYGLAJTM-UHFFFAOYSA-N
XLogP4.86
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-[5-fluoro-6-(4-methylimidazol-1-yl)-3-pyridinyl]-7-(4-fluorophenyl)-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[5-fluoro-6-(4-methylimidazol-1-yl)-3-pyridinyl]-7-(4-fluorophenyl)-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[5-fluoro-6-(4-methylimidazol-1-yl)-3-pyridinyl]-7-(4-fluorophenyl)-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 139415505) is 2-N-[5-fluoro-6-(4-methylimidazol-1-yl)-3-pyridinyl]-7-(4-fluorophenyl)-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[5-fluoro-6-(4-methylimidazol-1-yl)-3-pyridinyl]-7-(4-fluorophenyl)-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[5-fluoro-6-(4-methylimidazol-1-yl)-3-pyridinyl]-7-(4-fluorophenyl)-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is CNc1nc(Nc2cnc(-n3cnc(C)c3)c(F)c2)nc2c1C(C)(C)CN2c1ccc(F)cc1.
What is the InChIKey of 2-N-[5-fluoro-6-(4-methylimidazol-1-yl)-3-pyridinyl]-7-(4-fluorophenyl)-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is KXJSRKIYGLAJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N8/c1-14-11-33(13-29-14)21-18(26)9-16(10-28-21)30-23-31-20(27-4)19-22(32-23)34(12-24(19,2)3)17-7-5-15(25)6-8-17/h5-11,13H,12H2,1-4H3,(H2,27,30,31,32).
What are the key properties of 2-N-[5-fluoro-6-(4-methylimidazol-1-yl)-3-pyridinyl]-7-(4-fluorophenyl)-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
2-N-[5-fluoro-6-(4-methylimidazol-1-yl)-3-pyridinyl]-7-(4-fluorophenyl)-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 462.51 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[5-fluoro-6-(4-methylimidazol-1-yl)-3-pyridinyl]-7-(4-fluorophenyl)-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 139415505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).