N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazol-1-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(6-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(2-methylpyrimidin-4-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide

C106H111F5N30O5 — CID 159764559

IUPACN-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazol-1-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(6-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(2-methylpyrimidin-4-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide
SMILESCc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cn3cccn3)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cn3ccnc3)C2)n1.Cc1cnc(CC2CN(C(=O)Nc3nc(-c4ccc(F)cc4C)ccc3N)C2)cn1.Cc1cncc(CC2CN(C(=O)Nc3nc(-c4ccc(F)cc4C)ccc3N)C2)n1.Cc1nccc(CC2CN(C(=O)Nc3nc(-c4ccc(F)cc4C)ccc3N)C2)n1
InChIInChI=1S/3C22H23FN6O.2C20H21FN6O/c1-13-7-16(23)3-4-18(13)20-6-5-19(24)21(27-20)28-22(30)29-11-15(12-29)8-17-10-25-14(2)9-26-17;1-13-7-16(23)3-4-18(13)20-6-5-19(24)21(27-20)28-22(30)29-11-15(12-29)8-17-10-25-9-14(2)26-17;1-13-9-16(23)3-4-18(13)20-6-5-19(24)21(27-20)28-22(30)29-11-15(12-29)10-17-7-8-25-14(2)26-17;1-13-9-15(21)3-4-16(13)18-6-5-17(22)19(24-18)25-20(28)26-10-14(11-26)12-27-8-2-7-23-27;1-13-8-15(21)2-3-16(13)18-5-4-17(22)19(24-18)25-20(28)27-10-14(11-27)9-26-7-6-23-12-26/h2*3-7,9-10,15H,8,11-12,24H2,1-2H3,(H,27,28,30);3-9,15H,10-12,24H2,1-2H3,(H,27,28,30);2-9,14H,10-12,22H2,1H3,(H,24,25,28);2-8,12,14H,9-11,22H2,1H3,(H,24,25,28)
InChIKeyNFIIBBGSIGHYTE-UHFFFAOYSA-N
MW1980.25 g/mol
LogP17.03
Rot. Bonds20

About N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazol-1-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(6-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(2-methylpyrimidin-4-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide

N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazol-1-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(6-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(2-methylpyrimidin-4-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide (PubChem CID 159764559) has the molecular formula C106H111F5N30O5 and a molecular weight of 1980.25 g/mol. Its IUPAC name is N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazol-1-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(6-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(2-methylpyrimidin-4-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazol-1-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(6-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(2-methylpyrimidin-4-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide
PubChem CID159764559
Molecular FormulaC106H111F5N30O5
Molecular Weight1980.25 g/mol
Exact Mass1978.93
IUPAC NameN-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazol-1-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(6-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(2-methylpyrimidin-4-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide
SMILESCc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cn3cccn3)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cn3ccnc3)C2)n1.Cc1cnc(CC2CN(C(=O)Nc3nc(-c4ccc(F)cc4C)ccc3N)C2)cn1.Cc1cncc(CC2CN(C(=O)Nc3nc(-c4ccc(F)cc4C)ccc3N)C2)n1.Cc1nccc(CC2CN(C(=O)Nc3nc(-c4ccc(F)cc4C)ccc3N)C2)n1
InChIInChI=1S/3C22H23FN6O.2C20H21FN6O/c1-13-7-16(23)3-4-18(13)20-6-5-19(24)21(27-20)28-22(30)29-11-15(12-29)8-17-10-25-14(2)9-26-17;1-13-7-16(23)3-4-18(13)20-6-5-19(24)21(27-20)28-22(30)29-11-15(12-29)8-17-10-25-9-14(2)26-17;1-13-9-16(23)3-4-18(13)20-6-5-19(24)21(27-20)28-22(30)29-11-15(12-29)10-17-7-8-25-14(2)26-17;1-13-9-15(21)3-4-16(13)18-6-5-17(22)19(24-18)25-20(28)26-10-14(11-26)12-27-8-2-7-23-27;1-13-8-15(21)2-3-16(13)18-5-4-17(22)19(24-18)25-20(28)27-10-14(11-27)9-26-7-6-23-12-26/h2*3-7,9-10,15H,8,11-12,24H2,1-2H3,(H,27,28,30);3-9,15H,10-12,24H2,1-2H3,(H,27,28,30);2-9,14H,10-12,22H2,1H3,(H,24,25,28);2-8,12,14H,9-11,22H2,1H3,(H,24,25,28)
InChIKeyNFIIBBGSIGHYTE-UHFFFAOYSA-N
XLogP17.03
TPSA469.23 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms146
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001980.25
LogP ≤ 517.03
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazol-1-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(6-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(2-methylpyrimidin-4-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazol-1-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(6-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(2-methylpyrimidin-4-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide?
The IUPAC name of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazol-1-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(6-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(2-methylpyrimidin-4-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide (CID 159764559) is N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazol-1-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(6-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(2-methylpyrimidin-4-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide.
What is the SMILES notation for N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazol-1-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(6-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(2-methylpyrimidin-4-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide?
The canonical SMILES for N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazol-1-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(6-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(2-methylpyrimidin-4-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide is Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cn3cccn3)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cn3ccnc3)C2)n1.Cc1cnc(CC2CN(C(=O)Nc3nc(-c4ccc(F)cc4C)ccc3N)C2)cn1.Cc1cncc(CC2CN(C(=O)Nc3nc(-c4ccc(F)cc4C)ccc3N)C2)n1.Cc1nccc(CC2CN(C(=O)Nc3nc(-c4ccc(F)cc4C)ccc3N)C2)n1.
What is the InChIKey of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazol-1-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(6-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(2-methylpyrimidin-4-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide?
The InChIKey is NFIIBBGSIGHYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H23FN6O.2C20H21FN6O/c1-13-7-16(23)3-4-18(13)20-6-5-19(24)21(27-20)28-22(30)29-11-15(12-29)8-17-10-25-14(2)9-26-17;1-13-7-16(23)3-4-18(13)20-6-5-19(24)21(27-20)28-22(30)29-11-15(12-29)8-17-10-25-9-14(2)26-17;1-13-9-16(23)3-4-18(13)20-6-5-19(24)21(27-20)28-22(30)29-11-15(12-29)10-17-7-8-25-14(2)26-17;1-13-9-15(21)3-4-16(13)18-6-5-17(22)19(24-18)25-20(28)26-10-14(11-26)12-27-8-2-7-23-27;1-13-8-15(21)2-3-16(13)18-5-4-17(22)19(24-18)25-20(28)27-10-14(11-27)9-26-7-6-23-12-26/h2*3-7,9-10,15H,8,11-12,24H2,1-2H3,(H,27,28,30);3-9,15H,10-12,24H2,1-2H3,(H,27,28,30);2-9,14H,10-12,22H2,1H3,(H,24,25,28);2-8,12,14H,9-11,22H2,1H3,(H,24,25,28).
What are the key properties of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazol-1-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(6-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(2-methylpyrimidin-4-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide?
N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazol-1-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(6-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(2-methylpyrimidin-4-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide has a molecular weight of 1980.25 g/mol, XLogP of 17.03, 20 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazol-1-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(6-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(2-methylpyrimidin-4-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide is sourced from PubChem (CID 159764559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).