N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,2-a]pyridin-5-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4-methylimidazol-1-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]azetidine-1-carboxamide

C91H92F7N23O4 — CID 157484661

IUPACN-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,2-a]pyridin-5-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4-methylimidazol-1-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]azetidine-1-carboxamide
SMILESCc1cc(C)nc(CC2CN(C(=O)Nc3nc(-c4ccc(F)cc4C)ccc3N)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cc3ccc(C(F)(F)F)cn3)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cc3cccc4nccn34)C2)n1.Cc1cn(CC2CN(C(=O)Nc3nc(-c4ccc(F)cc4C)ccc3N)C2)cn1
InChIInChI=1S/C24H23FN6O.C23H21F4N5O.C23H25FN6O.C21H23FN6O/c1-15-11-17(25)5-6-19(15)21-8-7-20(26)23(28-21)29-24(32)30-13-16(14-30)12-18-3-2-4-22-27-9-10-31(18)22;1-13-8-16(24)3-5-18(13)20-7-6-19(28)21(30-20)31-22(33)32-11-14(12-32)9-17-4-2-15(10-29-17)23(25,26)27;1-13-8-17(24)4-5-18(13)20-7-6-19(25)22(28-20)29-23(31)30-11-16(12-30)10-21-26-14(2)9-15(3)27-21;1-13-7-16(22)3-4-17(13)19-6-5-18(23)20(25-19)26-21(29)28-10-15(11-28)9-27-8-14(2)24-12-27/h2-11,16H,12-14,26H2,1H3,(H,28,29,32);2-8,10,14H,9,11-12,28H2,1H3,(H,30,31,33);4-9,16H,10-12,25H2,1-3H3,(H,28,29,31);3-8,12,15H,9-11,23H2,1-2H3,(H,25,26,29)
InChIKeyBWOIYLUQUAFJIC-UHFFFAOYSA-N
MW1704.88 g/mol
LogP16.37
Rot. Bonds16

About N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,2-a]pyridin-5-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4-methylimidazol-1-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]azetidine-1-carboxamide

N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,2-a]pyridin-5-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4-methylimidazol-1-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]azetidine-1-carboxamide (PubChem CID 157484661) has the molecular formula C91H92F7N23O4 and a molecular weight of 1704.88 g/mol. Its IUPAC name is N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,2-a]pyridin-5-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4-methylimidazol-1-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,2-a]pyridin-5-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4-methylimidazol-1-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]azetidine-1-carboxamide
PubChem CID157484661
Molecular FormulaC91H92F7N23O4
Molecular Weight1704.88 g/mol
Exact Mass1703.76
IUPAC NameN-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,2-a]pyridin-5-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4-methylimidazol-1-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]azetidine-1-carboxamide
SMILESCc1cc(C)nc(CC2CN(C(=O)Nc3nc(-c4ccc(F)cc4C)ccc3N)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cc3ccc(C(F)(F)F)cn3)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cc3cccc4nccn34)C2)n1.Cc1cn(CC2CN(C(=O)Nc3nc(-c4ccc(F)cc4C)ccc3N)C2)cn1
InChIInChI=1S/C24H23FN6O.C23H21F4N5O.C23H25FN6O.C21H23FN6O/c1-15-11-17(25)5-6-19(15)21-8-7-20(26)23(28-21)29-24(32)30-13-16(14-30)12-18-3-2-4-22-27-9-10-31(18)22;1-13-8-16(24)3-5-18(13)20-7-6-19(28)21(30-20)31-22(33)32-11-14(12-32)9-17-4-2-15(10-29-17)23(25,26)27;1-13-8-17(24)4-5-18(13)20-7-6-19(25)22(28-20)29-23(31)30-11-16(12-30)10-21-26-14(2)9-15(3)27-21;1-13-7-16(22)3-4-17(13)19-6-5-18(23)20(25-19)26-21(29)28-10-15(11-28)9-27-8-14(2)24-12-27/h2-11,16H,12-14,26H2,1H3,(H,28,29,32);2-8,10,14H,9,11-12,28H2,1H3,(H,30,31,33);4-9,16H,10-12,25H2,1-3H3,(H,28,29,31);3-8,12,15H,9-11,23H2,1-2H3,(H,25,26,29)
InChIKeyBWOIYLUQUAFJIC-UHFFFAOYSA-N
XLogP16.37
TPSA358.79 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001704.88
LogP ≤ 516.37
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,2-a]pyridin-5-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4-methylimidazol-1-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]azetidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-Methyl-3-[5-(5-methylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]-1-(trifluoromethyl)urea
CID 45484809
1-(2,6-difluorophenyl)-3-[3-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]urea
CID 56676987
2-(2-(3,3-Difluoroazetidin-1-yl)pyridin-3-yl)-9-(4-(1-
CID 129139697
9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[3-(trifluoromethyl)azetidin-1-yl]pyridin-3-yl]-7H-purin-8-one
CID 129139805
9-[[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylpyridin-3-yl)-7H-purin-8-one
CID 129139823
9-(3-Fluoro-4-(1-methyl-4-
CID 129139868
9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-piperidin-1-ylpyridin-3-yl)-7H-purin-8-one
CID 129139875
2-(2-(3-Fluoroazetidin-1-yl)pyridin-3-yl)-9-(4-(1-
CID 129140020
2-[2-(4-methylpiperazin-1-yl)pyridin-3-yl]-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one
CID 129140040
9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-yl]-7H-purin-8-one
CID 129140066
9-(3,5-Difluoro-4-(1-methyl-4-
CID 129140192
9-[[4-[1-(1-acetylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylpyridin-3-yl)-7H-purin-8-one
CID 129140226

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,2-a]pyridin-5-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4-methylimidazol-1-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]azetidine-1-carboxamide?
The IUPAC name of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,2-a]pyridin-5-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4-methylimidazol-1-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]azetidine-1-carboxamide (CID 157484661) is N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,2-a]pyridin-5-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4-methylimidazol-1-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]azetidine-1-carboxamide.
What is the SMILES notation for N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,2-a]pyridin-5-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4-methylimidazol-1-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]azetidine-1-carboxamide?
The canonical SMILES for N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,2-a]pyridin-5-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4-methylimidazol-1-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]azetidine-1-carboxamide is Cc1cc(C)nc(CC2CN(C(=O)Nc3nc(-c4ccc(F)cc4C)ccc3N)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cc3ccc(C(F)(F)F)cn3)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cc3cccc4nccn34)C2)n1.Cc1cn(CC2CN(C(=O)Nc3nc(-c4ccc(F)cc4C)ccc3N)C2)cn1.
What is the InChIKey of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,2-a]pyridin-5-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4-methylimidazol-1-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]azetidine-1-carboxamide?
The InChIKey is BWOIYLUQUAFJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O.C23H21F4N5O.C23H25FN6O.C21H23FN6O/c1-15-11-17(25)5-6-19(15)21-8-7-20(26)23(28-21)29-24(32)30-13-16(14-30)12-18-3-2-4-22-27-9-10-31(18)22;1-13-8-16(24)3-5-18(13)20-7-6-19(28)21(30-20)31-22(33)32-11-14(12-32)9-17-4-2-15(10-29-17)23(25,26)27;1-13-8-17(24)4-5-18(13)20-7-6-19(25)22(28-20)29-23(31)30-11-16(12-30)10-21-26-14(2)9-15(3)27-21;1-13-7-16(22)3-4-17(13)19-6-5-18(23)20(25-19)26-21(29)28-10-15(11-28)9-27-8-14(2)24-12-27/h2-11,16H,12-14,26H2,1H3,(H,28,29,32);2-8,10,14H,9,11-12,28H2,1H3,(H,30,31,33);4-9,16H,10-12,25H2,1-3H3,(H,28,29,31);3-8,12,15H,9-11,23H2,1-2H3,(H,25,26,29).
What are the key properties of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,2-a]pyridin-5-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4-methylimidazol-1-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]azetidine-1-carboxamide?
N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,2-a]pyridin-5-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4-methylimidazol-1-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]azetidine-1-carboxamide has a molecular weight of 1704.88 g/mol, XLogP of 16.37, 16 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazo[1,2-a]pyridin-5-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4-methylimidazol-1-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]azetidine-1-carboxamide is sourced from PubChem (CID 157484661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).