2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;2-(2-fluoro-5-methylphenyl)-N-(2-phenylethyl)-N-pyridin-4-ylpteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate

C110H89F5N32O6 — CID 159553262

IUPAC2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;2-(2-fluoro-5-methylphenyl)-N-(2-phenylethyl)-N-pyridin-4-ylpteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1Nc1nc(-c2cc(C)ccc2F)nc2nccnc12.Cc1ccc(F)c(-c2nc(N(CCc3ccccc3)c3ccncc3)c3nccnc3n2)c1.Cc1ccc(F)c(-c2nc(Nc3ccnc(C)c3)c3nccnc3n2)c1.Cc1ccc(F)c(-c2nc(Nc3ccncc3C(=O)NCCCN3CCCC3=O)c3nccnc3n2)c1.Cc1ccc(F)c(-c2nc(Nc3ccncc3C(=O)O)c3nccnc3n2)c1
InChIInChI=1S/C26H25FN8O2.C26H21FN6.C20H15FN6O2.C19H13FN6O2.C19H15FN6/c1-16-5-6-19(27)17(14-16)23-33-24-22(29-10-11-30-24)25(34-23)32-20-7-9-28-15-18(20)26(37)31-8-3-13-35-12-2-4-21(35)36;1-18-7-8-22(27)21(17-18)24-31-25-23(29-14-15-30-25)26(32-24)33(20-9-12-28-13-10-20)16-11-19-5-3-2-4-6-19;1-11-3-4-14(21)12(9-11)17-26-18-16(23-7-8-24-18)19(27-17)25-15-5-6-22-10-13(15)20(28)29-2;1-10-2-3-13(20)11(8-10)16-25-17-15(22-6-7-23-17)18(26-16)24-14-4-5-21-9-12(14)19(27)28;1-11-3-4-15(20)14(9-11)17-25-18-16(22-7-8-23-18)19(26-17)24-13-5-6-21-12(2)10-13/h5-7,9-11,14-15H,2-4,8,12-13H2,1H3,(H,31,37)(H,28,30,32,33,34);2-10,12-15,17H,11,16H2,1H3;3-10H,1-2H3,(H,22,24,25,26,27);2-9H,1H3,(H,27,28)(H,21,23,24,25,26);3-10H,1-2H3,(H,21,23,24,25,26)
InChIKeyMFQZIGNRMAXEOF-UHFFFAOYSA-N
MW2050.13 g/mol
LogP19.54
Rot. Bonds25

About 2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;2-(2-fluoro-5-methylphenyl)-N-(2-phenylethyl)-N-pyridin-4-ylpteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate

2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;2-(2-fluoro-5-methylphenyl)-N-(2-phenylethyl)-N-pyridin-4-ylpteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate (PubChem CID 159553262) has the molecular formula C110H89F5N32O6 and a molecular weight of 2050.13 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;2-(2-fluoro-5-methylphenyl)-N-(2-phenylethyl)-N-pyridin-4-ylpteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;2-(2-fluoro-5-methylphenyl)-N-(2-phenylethyl)-N-pyridin-4-ylpteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate
PubChem CID159553262
Molecular FormulaC110H89F5N32O6
Molecular Weight2050.13 g/mol
Exact Mass2048.76
IUPAC Name2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;2-(2-fluoro-5-methylphenyl)-N-(2-phenylethyl)-N-pyridin-4-ylpteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1Nc1nc(-c2cc(C)ccc2F)nc2nccnc12.Cc1ccc(F)c(-c2nc(N(CCc3ccccc3)c3ccncc3)c3nccnc3n2)c1.Cc1ccc(F)c(-c2nc(Nc3ccnc(C)c3)c3nccnc3n2)c1.Cc1ccc(F)c(-c2nc(Nc3ccncc3C(=O)NCCCN3CCCC3=O)c3nccnc3n2)c1.Cc1ccc(F)c(-c2nc(Nc3ccncc3C(=O)O)c3nccnc3n2)c1
InChIInChI=1S/C26H25FN8O2.C26H21FN6.C20H15FN6O2.C19H13FN6O2.C19H15FN6/c1-16-5-6-19(27)17(14-16)23-33-24-22(29-10-11-30-24)25(34-23)32-20-7-9-28-15-18(20)26(37)31-8-3-13-35-12-2-4-21(35)36;1-18-7-8-22(27)21(17-18)24-31-25-23(29-14-15-30-25)26(32-24)33(20-9-12-28-13-10-20)16-11-19-5-3-2-4-6-19;1-11-3-4-14(21)12(9-11)17-26-18-16(23-7-8-24-18)19(27-17)25-15-5-6-22-10-13(15)20(28)29-2;1-10-2-3-13(20)11(8-10)16-25-17-15(22-6-7-23-17)18(26-16)24-14-4-5-21-9-12(14)19(27)28;1-11-3-4-15(20)14(9-11)17-25-18-16(22-7-8-23-18)19(26-17)24-13-5-6-21-12(2)10-13/h5-7,9-11,14-15H,2-4,8,12-13H2,1H3,(H,31,37)(H,28,30,32,33,34);2-10,12-15,17H,11,16H2,1H3;3-10H,1-2H3,(H,22,24,25,26,27);2-9H,1H3,(H,27,28)(H,21,23,24,25,26);3-10H,1-2H3,(H,21,23,24,25,26)
InChIKeyMFQZIGNRMAXEOF-UHFFFAOYSA-N
XLogP19.54
TPSA486.62 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds25
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002050.13
LogP ≤ 519.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;2-(2-fluoro-5-methylphenyl)-N-(2-phenylethyl)-N-pyridin-4-ylpteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate with MolForge

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Related Compounds

4-[[2-(2-Fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid
CID 121391413
Methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate
CID 121391415
4-[[(1S)-2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxylic acid
CID 142799789
4-[[(1S)-2-(ethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxylic acid
CID 142799807
4-[[(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxylic acid
CID 142799814
4-[[(1S)-2-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxylic acid
CID 142799821
methyl 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylate;N-[(1S)-1-phenylethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 157590680
4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine;methyl 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]pyridine-3-carboxylate
CID 157831341
4-[6-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[6-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;benzyl N-[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamate;N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 158033548
N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;N-[[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methyl]methanesulfonamide
CID 158157919
4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine
CID 158326638
7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-N-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylic acid;(3R)-3-amino-1-[3-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[3,4-e][1,2,4]triazin-6-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(8-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(5-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 158883004

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;2-(2-fluoro-5-methylphenyl)-N-(2-phenylethyl)-N-pyridin-4-ylpteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate?
The IUPAC name of 2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;2-(2-fluoro-5-methylphenyl)-N-(2-phenylethyl)-N-pyridin-4-ylpteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate (CID 159553262) is 2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;2-(2-fluoro-5-methylphenyl)-N-(2-phenylethyl)-N-pyridin-4-ylpteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate.
What is the SMILES notation for 2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;2-(2-fluoro-5-methylphenyl)-N-(2-phenylethyl)-N-pyridin-4-ylpteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate?
The canonical SMILES for 2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;2-(2-fluoro-5-methylphenyl)-N-(2-phenylethyl)-N-pyridin-4-ylpteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate is COC(=O)c1cnccc1Nc1nc(-c2cc(C)ccc2F)nc2nccnc12.Cc1ccc(F)c(-c2nc(N(CCc3ccccc3)c3ccncc3)c3nccnc3n2)c1.Cc1ccc(F)c(-c2nc(Nc3ccnc(C)c3)c3nccnc3n2)c1.Cc1ccc(F)c(-c2nc(Nc3ccncc3C(=O)NCCCN3CCCC3=O)c3nccnc3n2)c1.Cc1ccc(F)c(-c2nc(Nc3ccncc3C(=O)O)c3nccnc3n2)c1.
What is the InChIKey of 2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;2-(2-fluoro-5-methylphenyl)-N-(2-phenylethyl)-N-pyridin-4-ylpteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate?
The InChIKey is MFQZIGNRMAXEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN8O2.C26H21FN6.C20H15FN6O2.C19H13FN6O2.C19H15FN6/c1-16-5-6-19(27)17(14-16)23-33-24-22(29-10-11-30-24)25(34-23)32-20-7-9-28-15-18(20)26(37)31-8-3-13-35-12-2-4-21(35)36;1-18-7-8-22(27)21(17-18)24-31-25-23(29-14-15-30-25)26(32-24)33(20-9-12-28-13-10-20)16-11-19-5-3-2-4-6-19;1-11-3-4-14(21)12(9-11)17-26-18-16(23-7-8-24-18)19(27-17)25-15-5-6-22-10-13(15)20(28)29-2;1-10-2-3-13(20)11(8-10)16-25-17-15(22-6-7-23-17)18(26-16)24-14-4-5-21-9-12(14)19(27)28;1-11-3-4-15(20)14(9-11)17-25-18-16(22-7-8-23-18)19(26-17)24-13-5-6-21-12(2)10-13/h5-7,9-11,14-15H,2-4,8,12-13H2,1H3,(H,31,37)(H,28,30,32,33,34);2-10,12-15,17H,11,16H2,1H3;3-10H,1-2H3,(H,22,24,25,26,27);2-9H,1H3,(H,27,28)(H,21,23,24,25,26);3-10H,1-2H3,(H,21,23,24,25,26).
What are the key properties of 2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;2-(2-fluoro-5-methylphenyl)-N-(2-phenylethyl)-N-pyridin-4-ylpteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate?
2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;2-(2-fluoro-5-methylphenyl)-N-(2-phenylethyl)-N-pyridin-4-ylpteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate has a molecular weight of 2050.13 g/mol, XLogP of 19.54, 25 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;2-(2-fluoro-5-methylphenyl)-N-(2-phenylethyl)-N-pyridin-4-ylpteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 159553262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).