4-chloro-1,6-naphthyridine;5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine;N-[5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-yl-3-pyridinyl]-1,6-naphthyridin-4-amine;3-(4-fluoro-3-methylphenyl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one

C71H68ClF3N12O3 — CID 158634516

IUPAC4-chloro-1,6-naphthyridine;5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine;N-[5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-yl-3-pyridinyl]-1,6-naphthyridin-4-amine;3-(4-fluoro-3-methylphenyl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one
SMILESCOc1nc(C(C)C)c(N)cc1-c1ccc(F)c(C)c1.COc1nc(C(C)C)c(Nc2ccnc3ccncc23)cc1-c1ccc(F)c(C)c1.Cc1cc(-c2cc(Nc3ccnc4ccncc34)c(C(C)C)[nH]c2=O)ccc1F.Clc1ccnc2ccncc12
InChIInChI=1S/C24H23FN4O.C23H21FN4O.C16H19FN2O.C8H5ClN2/c1-14(2)23-22(28-21-8-10-27-20-7-9-26-13-18(20)21)12-17(24(29-23)30-4)16-5-6-19(25)15(3)11-16;1-13(2)22-21(27-20-7-9-26-19-6-8-25-12-17(19)20)11-16(23(29)28-22)15-4-5-18(24)14(3)10-15;1-9(2)15-14(18)8-12(16(19-15)20-4)11-5-6-13(17)10(3)7-11;9-7-1-4-11-8-2-3-10-5-6(7)8/h5-14H,1-4H3,(H,27,28);4-13H,1-3H3,(H,26,27)(H,28,29);5-9H,18H2,1-4H3;1-5H
InChIKeyHZPKZTUVYMVEQO-UHFFFAOYSA-N
MW1229.85 g/mol
LogP17.51
Rot. Bonds12

About 4-chloro-1,6-naphthyridine;5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine;N-[5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-yl-3-pyridinyl]-1,6-naphthyridin-4-amine;3-(4-fluoro-3-methylphenyl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one

4-chloro-1,6-naphthyridine;5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine;N-[5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-yl-3-pyridinyl]-1,6-naphthyridin-4-amine;3-(4-fluoro-3-methylphenyl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 158634516) has the molecular formula C71H68ClF3N12O3 and a molecular weight of 1229.85 g/mol. Its IUPAC name is 4-chloro-1,6-naphthyridine;5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine;N-[5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-yl-3-pyridinyl]-1,6-naphthyridin-4-amine;3-(4-fluoro-3-methylphenyl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-chloro-1,6-naphthyridine;5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine;N-[5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-yl-3-pyridinyl]-1,6-naphthyridin-4-amine;3-(4-fluoro-3-methylphenyl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one
PubChem CID158634516
Molecular FormulaC71H68ClF3N12O3
Molecular Weight1229.85 g/mol
Exact Mass1228.52
IUPAC Name4-chloro-1,6-naphthyridine;5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine;N-[5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-yl-3-pyridinyl]-1,6-naphthyridin-4-amine;3-(4-fluoro-3-methylphenyl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one
SMILESCOc1nc(C(C)C)c(N)cc1-c1ccc(F)c(C)c1.COc1nc(C(C)C)c(Nc2ccnc3ccncc23)cc1-c1ccc(F)c(C)c1.Cc1cc(-c2cc(Nc3ccnc4ccncc34)c(C(C)C)[nH]c2=O)ccc1F.Clc1ccnc2ccncc12
InChIInChI=1S/C24H23FN4O.C23H21FN4O.C16H19FN2O.C8H5ClN2/c1-14(2)23-22(28-21-8-10-27-20-7-9-26-13-18(20)21)12-17(24(29-23)30-4)16-5-6-19(25)15(3)11-16;1-13(2)22-21(27-20-7-9-26-19-6-8-25-12-17(19)20)11-16(23(29)28-22)15-4-5-18(24)14(3)10-15;1-9(2)15-14(18)8-12(16(19-15)20-4)11-5-6-13(17)10(3)7-11;9-7-1-4-11-8-2-3-10-5-6(7)8/h5-14H,1-4H3,(H,27,28);4-13H,1-3H3,(H,26,27)(H,28,29);5-9H,18H2,1-4H3;1-5H
InChIKeyHZPKZTUVYMVEQO-UHFFFAOYSA-N
XLogP17.51
TPSA204.52 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001229.85
LogP ≤ 517.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 4-chloro-1,6-naphthyridine;5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine;N-[5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-yl-3-pyridinyl]-1,6-naphthyridin-4-amine;3-(4-fluoro-3-methylphenyl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,6-naphthyridine;5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine;N-[5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-yl-3-pyridinyl]-1,6-naphthyridin-4-amine;3-(4-fluoro-3-methylphenyl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 4-chloro-1,6-naphthyridine;5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine;N-[5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-yl-3-pyridinyl]-1,6-naphthyridin-4-amine;3-(4-fluoro-3-methylphenyl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one (CID 158634516) is 4-chloro-1,6-naphthyridine;5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine;N-[5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-yl-3-pyridinyl]-1,6-naphthyridin-4-amine;3-(4-fluoro-3-methylphenyl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-chloro-1,6-naphthyridine;5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine;N-[5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-yl-3-pyridinyl]-1,6-naphthyridin-4-amine;3-(4-fluoro-3-methylphenyl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 4-chloro-1,6-naphthyridine;5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine;N-[5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-yl-3-pyridinyl]-1,6-naphthyridin-4-amine;3-(4-fluoro-3-methylphenyl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one is COc1nc(C(C)C)c(N)cc1-c1ccc(F)c(C)c1.COc1nc(C(C)C)c(Nc2ccnc3ccncc23)cc1-c1ccc(F)c(C)c1.Cc1cc(-c2cc(Nc3ccnc4ccncc34)c(C(C)C)[nH]c2=O)ccc1F.Clc1ccnc2ccncc12.
What is the InChIKey of 4-chloro-1,6-naphthyridine;5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine;N-[5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-yl-3-pyridinyl]-1,6-naphthyridin-4-amine;3-(4-fluoro-3-methylphenyl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is HZPKZTUVYMVEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O.C23H21FN4O.C16H19FN2O.C8H5ClN2/c1-14(2)23-22(28-21-8-10-27-20-7-9-26-13-18(20)21)12-17(24(29-23)30-4)16-5-6-19(25)15(3)11-16;1-13(2)22-21(27-20-7-9-26-19-6-8-25-12-17(19)20)11-16(23(29)28-22)15-4-5-18(24)14(3)10-15;1-9(2)15-14(18)8-12(16(19-15)20-4)11-5-6-13(17)10(3)7-11;9-7-1-4-11-8-2-3-10-5-6(7)8/h5-14H,1-4H3,(H,27,28);4-13H,1-3H3,(H,26,27)(H,28,29);5-9H,18H2,1-4H3;1-5H.
What are the key properties of 4-chloro-1,6-naphthyridine;5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine;N-[5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-yl-3-pyridinyl]-1,6-naphthyridin-4-amine;3-(4-fluoro-3-methylphenyl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one?
4-chloro-1,6-naphthyridine;5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine;N-[5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-yl-3-pyridinyl]-1,6-naphthyridin-4-amine;3-(4-fluoro-3-methylphenyl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 1229.85 g/mol, XLogP of 17.51, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,6-naphthyridine;5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine;N-[5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-yl-3-pyridinyl]-1,6-naphthyridin-4-amine;3-(4-fluoro-3-methylphenyl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 158634516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).