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

C25H26F2N8O — CID 139415522

IUPAC7-(3,4-difluorophenyl)-2-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cnc(-n3cnc(C)c3)c(OC)c2)nc2c1C(C)(C)CN2c1ccc(F)c(F)c1
InChIInChI=1S/C25H26F2N8O/c1-14-11-34(13-30-14)22-19(36-5)8-15(10-29-22)31-24-32-21(28-4)20-23(33-24)35(12-25(20,2)3)16-6-7-17(26)18(27)9-16/h6-11,13H,12H2,1-5H3,(H2,28,31,32,33)
InChIKeySNRJEYIETICXKM-UHFFFAOYSA-N
MW492.53 g/mol
LogP4.87
Rot. Bonds6

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

7-(3,4-difluorophenyl)-2-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 139415522) has the molecular formula C25H26F2N8O and a molecular weight of 492.53 g/mol. Its IUPAC name is 7-(3,4-difluorophenyl)-2-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-(3,4-difluorophenyl)-2-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID139415522
Molecular FormulaC25H26F2N8O
Molecular Weight492.53 g/mol
Exact Mass492.22
IUPAC Name7-(3,4-difluorophenyl)-2-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cnc(-n3cnc(C)c3)c(OC)c2)nc2c1C(C)(C)CN2c1ccc(F)c(F)c1
InChIInChI=1S/C25H26F2N8O/c1-14-11-34(13-30-14)22-19(36-5)8-15(10-29-22)31-24-32-21(28-4)20-23(33-24)35(12-25(20,2)3)16-6-7-17(26)18(27)9-16/h6-11,13H,12H2,1-5H3,(H2,28,31,32,33)
InChIKeySNRJEYIETICXKM-UHFFFAOYSA-N
XLogP4.87
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

7-(3,4-difluorophenyl)-N,5,5-trimethyl-2-[[5-methyl-6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]-6H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 157218631
2-chloro-7-(2,3-difluorophenyl)-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine;7-(2,3-difluorophenyl)-2-[[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 159326930
7-(2,4-difluorophenyl)-2-[[5-fluoro-6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 160937353
7-(3,4-difluorophenyl)-4-N,5,5-trimethyl-2-N-[(1S,5R)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 138678600
N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine
CID 118238307
7-(2,4-difluorophenyl)-2-N-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 139415535
2-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-7-(4-fluorophenyl)-4-N-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 139415509
6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 178075717
7-(3,5-difluorophenyl)-8-methoxy-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 126569337
cyclobutane;N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen
CID 144890322
N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-(2,2,2-trifluoroethyl)spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]-2-amine
CID 130455672
7-cyclobutyl-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 123938484

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-difluorophenyl)-2-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-(3,4-difluorophenyl)-2-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 139415522) is 7-(3,4-difluorophenyl)-2-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-(3,4-difluorophenyl)-2-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-(3,4-difluorophenyl)-2-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is CNc1nc(Nc2cnc(-n3cnc(C)c3)c(OC)c2)nc2c1C(C)(C)CN2c1ccc(F)c(F)c1.
What is the InChIKey of 7-(3,4-difluorophenyl)-2-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is SNRJEYIETICXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N8O/c1-14-11-34(13-30-14)22-19(36-5)8-15(10-29-22)31-24-32-21(28-4)20-23(33-24)35(12-25(20,2)3)16-6-7-17(26)18(27)9-16/h6-11,13H,12H2,1-5H3,(H2,28,31,32,33).
What are the key properties of 7-(3,4-difluorophenyl)-2-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
7-(3,4-difluorophenyl)-2-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 492.53 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-difluorophenyl)-2-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 139415522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).