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

C25H24F3N7 — CID 160937353

IUPAC7-(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
SMILESCNc1nc(Cc2cnc(-n3cnc(C)c3)c(F)c2)nc2c1C(C)(C)CN2c1ccc(F)cc1F
InChIInChI=1S/C25H24F3N7/c1-14-11-34(13-31-14)23-18(28)7-15(10-30-23)8-20-32-22(29-4)21-24(33-20)35(12-25(21,2)3)19-6-5-16(26)9-17(19)27/h5-7,9-11,13H,8,12H2,1-4H3,(H,29,32,33)
InChIKeyLKSUQWBENZZVNG-UHFFFAOYSA-N
MW479.51 g/mol
LogP4.84
Rot. Bonds5

About 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

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 (PubChem CID 160937353) has the molecular formula C25H24F3N7 and a molecular weight of 479.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID160937353
Molecular FormulaC25H24F3N7
Molecular Weight479.51 g/mol
Exact Mass479.20
IUPAC Name7-(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
SMILESCNc1nc(Cc2cnc(-n3cnc(C)c3)c(F)c2)nc2c1C(C)(C)CN2c1ccc(F)cc1F
InChIInChI=1S/C25H24F3N7/c1-14-11-34(13-31-14)23-18(28)7-15(10-30-23)8-20-32-22(29-4)21-24(33-20)35(12-25(21,2)3)19-6-5-16(26)9-17(19)27/h5-7,9-11,13H,8,12H2,1-4H3,(H,29,32,33)
InChIKeyLKSUQWBENZZVNG-UHFFFAOYSA-N
XLogP4.84
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 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)-N,5,5-trimethyl-2-[[3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]methyl]-6H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 161188825
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
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-chloro-7-(4-fluorophenyl)-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[[3-(difluoromethoxy)-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-7-(4-fluorophenyl)-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162072044
[4-(cyclopropylamino)-7-(4-fluoro-2-methoxyphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol
CID 177284635
[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methanol
CID 91758264
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
2-[(3-fluorophenyl)methyl]-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridine
CID 161463309
acetylene;7-(2,3-difluorophenyl)-4-N,5,5-trimethyl-2-N-[[(6-methylpyrimidin-4-yl)-propan-2-ylamino]methyl]-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 145440481
7-(2,4-difluorophenyl)-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118246089

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1nc(Cc2cnc(-n3cnc(C)c3)c(F)c2)nc2c1C(C)(C)CN2c1ccc(F)cc1F.
What is the InChIKey of 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?
The InChIKey is LKSUQWBENZZVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N7/c1-14-11-34(13-31-14)23-18(28)7-15(10-30-23)8-20-32-22(29-4)21-24(33-20)35(12-25(21,2)3)19-6-5-16(26)9-17(19)27/h5-7,9-11,13H,8,12H2,1-4H3,(H,29,32,33).
What are the key properties of 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?
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 has a molecular weight of 479.51 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160937353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).