2-cyclopropyl-N-[7-(5-fluoro-6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-3-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine

C118H90FN25O3S6 — CID 165031174

IUPAC2-cyclopropyl-N-[7-(5-fluoro-6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-3-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine
SMILESCOc1ncc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)cc1F.CS(=O)(=O)c1cncc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1.Cc1ccncc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.c1ccc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)nc1.c1cncc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1
InChIInChI=1S/C24H18FN5OS.C24H19N5O2S2.C24H19N5S.2C23H17N5S/c1-31-23-17(25)9-14(12-27-23)19-11-20-16(3-2-8-26-20)22(29-19)28-15-6-7-18-21(10-15)32-24(30-18)13-4-5-13;1-33(30,31)17-9-15(12-25-13-17)20-11-21-18(3-2-8-26-21)23(28-20)27-16-6-7-19-22(10-16)32-24(29-19)14-4-5-14;1-14-8-10-25-13-18(14)21-12-20-17(3-2-9-26-20)23(28-21)27-16-6-7-19-22(11-16)30-24(29-19)15-4-5-15;1-3-15(13-24-9-1)19-12-20-17(4-2-10-25-20)22(27-19)26-16-7-8-18-21(11-16)29-23(28-18)14-5-6-14;1-2-10-24-17(5-1)20-13-19-16(4-3-11-25-19)22(27-20)26-15-8-9-18-21(12-15)29-23(28-18)14-6-7-14/h2-3,6-13H,4-5H2,1H3,(H,28,29);2-3,6-14H,4-5H2,1H3,(H,27,28);2-3,6-13,15H,4-5H2,1H3,(H,27,28);1-4,7-14H,5-6H2,(H,26,27);1-5,8-14H,6-7H2,(H,26,27)
InChIKeyMRFYEJPARLNHSC-UHFFFAOYSA-N
MW2117.59 g/mol
LogP29.47
Rot. Bonds22

About 2-cyclopropyl-N-[7-(5-fluoro-6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-3-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine

2-cyclopropyl-N-[7-(5-fluoro-6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-3-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine (PubChem CID 165031174) has the molecular formula C118H90FN25O3S6 and a molecular weight of 2117.59 g/mol. Its IUPAC name is 2-cyclopropyl-N-[7-(5-fluoro-6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-3-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[7-(5-fluoro-6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-3-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine
PubChem CID165031174
Molecular FormulaC118H90FN25O3S6
Molecular Weight2117.59 g/mol
Exact Mass2115.60
IUPAC Name2-cyclopropyl-N-[7-(5-fluoro-6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-3-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine
SMILESCOc1ncc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)cc1F.CS(=O)(=O)c1cncc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1.Cc1ccncc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.c1ccc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)nc1.c1cncc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1
InChIInChI=1S/C24H18FN5OS.C24H19N5O2S2.C24H19N5S.2C23H17N5S/c1-31-23-17(25)9-14(12-27-23)19-11-20-16(3-2-8-26-20)22(29-19)28-15-6-7-18-21(10-15)32-24(30-18)13-4-5-13;1-33(30,31)17-9-15(12-25-13-17)20-11-21-18(3-2-8-26-21)23(28-20)27-16-6-7-19-22(10-16)32-24(29-19)14-4-5-14;1-14-8-10-25-13-18(14)21-12-20-17(3-2-9-26-20)23(28-21)27-16-6-7-19-22(11-16)30-24(29-19)15-4-5-15;1-3-15(13-24-9-1)19-12-20-17(4-2-10-25-20)22(27-19)26-16-7-8-18-21(11-16)29-23(28-18)14-5-6-14;1-2-10-24-17(5-1)20-13-19-16(4-3-11-25-19)22(27-20)26-15-8-9-18-21(12-15)29-23(28-18)14-6-7-14/h2-3,6-13H,4-5H2,1H3,(H,28,29);2-3,6-14H,4-5H2,1H3,(H,27,28);2-3,6-13,15H,4-5H2,1H3,(H,27,28);1-4,7-14H,5-6H2,(H,26,27);1-5,8-14H,6-7H2,(H,26,27)
InChIKeyMRFYEJPARLNHSC-UHFFFAOYSA-N
XLogP29.47
TPSA361.32 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds22
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002117.59
LogP ≤ 529.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Analyze 2-cyclopropyl-N-[7-(5-fluoro-6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-3-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[7-(5-fluoro-6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-3-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-cyclopropyl-N-[7-(5-fluoro-6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-3-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine (CID 165031174) is 2-cyclopropyl-N-[7-(5-fluoro-6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-3-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-cyclopropyl-N-[7-(5-fluoro-6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-3-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-cyclopropyl-N-[7-(5-fluoro-6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-3-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine is COc1ncc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)cc1F.CS(=O)(=O)c1cncc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1.Cc1ccncc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.c1ccc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)nc1.c1cncc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1.
What is the InChIKey of 2-cyclopropyl-N-[7-(5-fluoro-6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-3-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine?
The InChIKey is MRFYEJPARLNHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5OS.C24H19N5O2S2.C24H19N5S.2C23H17N5S/c1-31-23-17(25)9-14(12-27-23)19-11-20-16(3-2-8-26-20)22(29-19)28-15-6-7-18-21(10-15)32-24(30-18)13-4-5-13;1-33(30,31)17-9-15(12-25-13-17)20-11-21-18(3-2-8-26-21)23(28-20)27-16-6-7-19-22(10-16)32-24(29-19)14-4-5-14;1-14-8-10-25-13-18(14)21-12-20-17(3-2-9-26-20)23(28-21)27-16-6-7-19-22(11-16)30-24(29-19)15-4-5-15;1-3-15(13-24-9-1)19-12-20-17(4-2-10-25-20)22(27-19)26-16-7-8-18-21(11-16)29-23(28-18)14-5-6-14;1-2-10-24-17(5-1)20-13-19-16(4-3-11-25-19)22(27-20)26-15-8-9-18-21(12-15)29-23(28-18)14-6-7-14/h2-3,6-13H,4-5H2,1H3,(H,28,29);2-3,6-14H,4-5H2,1H3,(H,27,28);2-3,6-13,15H,4-5H2,1H3,(H,27,28);1-4,7-14H,5-6H2,(H,26,27);1-5,8-14H,6-7H2,(H,26,27).
What are the key properties of 2-cyclopropyl-N-[7-(5-fluoro-6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-3-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine?
2-cyclopropyl-N-[7-(5-fluoro-6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-3-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine has a molecular weight of 2117.59 g/mol, XLogP of 29.47, 22 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[7-(5-fluoro-6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-3-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 165031174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).