N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[fluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylpyrazol-3-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyridazin-3-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(1-pyrimidin-2-ylethyl)azetidine-1-carboxamide

C85H87F5N24O4 — CID 161479038

IUPACN-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[fluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylpyrazol-3-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyridazin-3-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(1-pyrimidin-2-ylethyl)azetidine-1-carboxamide
SMILESCc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(C(C)c3ncccn3)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(C(F)c3ncccn3)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cc3cccnn3)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cc3ccn(C)n3)C2)n1
InChIInChI=1S/C22H23FN6O.C21H20F2N6O.C21H23FN6O.C21H21FN6O/c1-13-10-16(23)4-5-17(13)19-7-6-18(24)21(27-19)28-22(30)29-11-15(12-29)14(2)20-25-8-3-9-26-20;1-12-9-14(22)3-4-15(12)17-6-5-16(24)19(27-17)28-21(30)29-10-13(11-29)18(23)20-25-7-2-8-26-20;1-13-9-15(22)3-4-17(13)19-6-5-18(23)20(24-19)25-21(29)28-11-14(12-28)10-16-7-8-27(2)26-16;1-13-9-15(22)4-5-17(13)19-7-6-18(23)20(25-19)26-21(29)28-11-14(12-28)10-16-3-2-8-24-27-16/h3-10,14-15H,11-12,24H2,1-2H3,(H,27,28,30);2-9,13,18H,10-11,24H2,1H3,(H,27,28,30);3-9,14H,10-12,23H2,1-2H3,(H,24,25,29);2-9,14H,10-12,23H2,1H3,(H,25,26,29)
InChIKeyWECJZSGERQLGSA-UHFFFAOYSA-N
MW1603.78 g/mol
LogP14.07
Rot. Bonds16

About N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[fluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylpyrazol-3-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyridazin-3-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(1-pyrimidin-2-ylethyl)azetidine-1-carboxamide

N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[fluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylpyrazol-3-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyridazin-3-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(1-pyrimidin-2-ylethyl)azetidine-1-carboxamide (PubChem CID 161479038) has the molecular formula C85H87F5N24O4 and a molecular weight of 1603.78 g/mol. Its IUPAC name is N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[fluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylpyrazol-3-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyridazin-3-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(1-pyrimidin-2-ylethyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[fluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylpyrazol-3-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyridazin-3-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(1-pyrimidin-2-ylethyl)azetidine-1-carboxamide
PubChem CID161479038
Molecular FormulaC85H87F5N24O4
Molecular Weight1603.78 g/mol
Exact Mass1602.73
IUPAC NameN-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[fluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylpyrazol-3-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyridazin-3-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(1-pyrimidin-2-ylethyl)azetidine-1-carboxamide
SMILESCc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(C(C)c3ncccn3)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(C(F)c3ncccn3)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cc3cccnn3)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cc3ccn(C)n3)C2)n1
InChIInChI=1S/C22H23FN6O.C21H20F2N6O.C21H23FN6O.C21H21FN6O/c1-13-10-16(23)4-5-17(13)19-7-6-18(24)21(27-19)28-22(30)29-11-15(12-29)14(2)20-25-8-3-9-26-20;1-12-9-14(22)3-4-15(12)17-6-5-16(24)19(27-17)28-21(30)29-10-13(11-29)18(23)20-25-7-2-8-26-20;1-13-9-15(22)3-4-17(13)19-6-5-18(23)20(24-19)25-21(29)28-11-14(12-28)10-16-7-8-27(2)26-16;1-13-9-15(22)4-5-17(13)19-7-6-18(23)20(25-19)26-21(29)28-11-14(12-28)10-16-3-2-8-24-27-16/h3-10,14-15H,11-12,24H2,1-2H3,(H,27,28,30);2-9,13,18H,10-11,24H2,1H3,(H,27,28,30);3-9,14H,10-12,23H2,1-2H3,(H,24,25,29);2-9,14H,10-12,23H2,1H3,(H,25,26,29)
InChIKeyWECJZSGERQLGSA-UHFFFAOYSA-N
XLogP14.07
TPSA380.16 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001603.78
LogP ≤ 514.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[fluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylpyrazol-3-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyridazin-3-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(1-pyrimidin-2-ylethyl)azetidine-1-carboxamide with MolForge

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Related Compounds

3,3-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]pyridin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxamide
CID 118249134
2-(3-fluoro-2-propan-2-ylphenyl)-9-[[4-[3-(1-methylpiperidin-4-yl)pyrazol-1-yl]phenyl]methyl]-7H-purin-8-one
CID 129140079
4-[6-(4-fluorophenyl)-2-(pyrazol-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 68843639
methyl N-[4,6-diamino-2-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-N-[(2-phenylphenyl)methyl]carbamate
CID 117899895
1-[3-[3-Amino-6-[4-[[5-[3-amino-6-[4-[[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]carbamoylamino]-5-fluoro-2-methylphenyl]triazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]carbamoylamino]-5-fluoro-2-methylphenyl]triazolo[1,5-a]pyridin-4-yl]-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)urea
CID 123148779
1-[6-[3-Amino-7-[4-[[5-[3-amino-7-[4-[[6-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-pyridinyl]carbamoylamino]-5-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]pyrimidin-2-yl]carbamoylamino]-5-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)urea
CID 123154598
1-[3-[3-Amino-7-[4-[[5-[3-amino-7-[4-[[2-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)pyrimidin-5-yl]carbamoylamino]-5-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]pyrazin-2-yl]carbamoylamino]-5-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)urea
CID 123264147
N-[1-[[4-[(4-ethyl-3-pyridinyl)carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]-1,2,4-triazol-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 123446125
N-[6-[[4-[[2-(azetidin-1-yl)pyridin-4-yl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]pyridazin-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 123458735
1-[6-[3-Amino-6-[4-[[5-[3-amino-6-[4-[[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-3-pyridinyl]carbamoylamino]-5-fluoro-2-methylphenyl]triazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]carbamoylamino]-5-fluoro-2-methylphenyl]triazolo[1,5-a]pyridin-4-yl]pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)urea
CID 123675927
1-[2-[3-Amino-7-[4-[[6-[3-amino-7-[4-[[5-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)pyrimidin-2-yl]carbamoylamino]-5-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]pyridazin-3-yl]carbamoylamino]-5-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)urea
CID 123896121
1-[5-[3-Amino-6-[4-[[2-[3-amino-6-[4-[[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]carbamoylamino]-5-fluoro-2-methylphenyl]triazolo[1,5-a]pyridin-4-yl]pyrimidin-5-yl]carbamoylamino]-5-fluoro-2-methylphenyl]triazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)urea
CID 123963859

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[fluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylpyrazol-3-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyridazin-3-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(1-pyrimidin-2-ylethyl)azetidine-1-carboxamide?
The IUPAC name of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[fluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylpyrazol-3-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyridazin-3-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(1-pyrimidin-2-ylethyl)azetidine-1-carboxamide (CID 161479038) is N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[fluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylpyrazol-3-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyridazin-3-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(1-pyrimidin-2-ylethyl)azetidine-1-carboxamide.
What is the SMILES notation for N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[fluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylpyrazol-3-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyridazin-3-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(1-pyrimidin-2-ylethyl)azetidine-1-carboxamide?
The canonical SMILES for N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[fluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylpyrazol-3-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyridazin-3-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(1-pyrimidin-2-ylethyl)azetidine-1-carboxamide is Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(C(C)c3ncccn3)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(C(F)c3ncccn3)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cc3cccnn3)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cc3ccn(C)n3)C2)n1.
What is the InChIKey of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[fluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylpyrazol-3-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyridazin-3-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(1-pyrimidin-2-ylethyl)azetidine-1-carboxamide?
The InChIKey is WECJZSGERQLGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O.C21H20F2N6O.C21H23FN6O.C21H21FN6O/c1-13-10-16(23)4-5-17(13)19-7-6-18(24)21(27-19)28-22(30)29-11-15(12-29)14(2)20-25-8-3-9-26-20;1-12-9-14(22)3-4-15(12)17-6-5-16(24)19(27-17)28-21(30)29-10-13(11-29)18(23)20-25-7-2-8-26-20;1-13-9-15(22)3-4-17(13)19-6-5-18(23)20(24-19)25-21(29)28-11-14(12-28)10-16-7-8-27(2)26-16;1-13-9-15(22)4-5-17(13)19-7-6-18(23)20(25-19)26-21(29)28-11-14(12-28)10-16-3-2-8-24-27-16/h3-10,14-15H,11-12,24H2,1-2H3,(H,27,28,30);2-9,13,18H,10-11,24H2,1H3,(H,27,28,30);3-9,14H,10-12,23H2,1-2H3,(H,24,25,29);2-9,14H,10-12,23H2,1H3,(H,25,26,29).
What are the key properties of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[fluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylpyrazol-3-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyridazin-3-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(1-pyrimidin-2-ylethyl)azetidine-1-carboxamide?
N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[fluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylpyrazol-3-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyridazin-3-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(1-pyrimidin-2-ylethyl)azetidine-1-carboxamide has a molecular weight of 1603.78 g/mol, XLogP of 14.07, 16 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[fluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylpyrazol-3-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyridazin-3-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(1-pyrimidin-2-ylethyl)azetidine-1-carboxamide is sourced from PubChem (CID 161479038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).