3-[8-(2,6-difluorophenyl)-7-oxido-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-8H-1,7-naphthyridin-4-yl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide

C34H35F2N6O2S- — CID 87637843

IUPAC3-[8-(2,6-difluorophenyl)-7-oxido-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-8H-1,7-naphthyridin-4-yl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nccs2)cc1-c1cc(NC2CC(C)(C)NC(C)(C)C2)nc2c1C=CN([O-])C2c1c(F)cccc1F
InChIInChI=1S/C34H35F2N6O2S/c1-19-9-10-20(31(43)40-32-37-12-14-45-32)15-23(19)24-16-27(38-21-17-33(2,3)41-34(4,5)18-21)39-29-22(24)11-13-42(44)30(29)28-25(35)7-6-8-26(28)36/h6-16,21,30,41H,17-18H2,1-5H3,(H,38,39)(H,37,40,43)/q-1
InChIKeyHFLMSHFZDJNEFJ-UHFFFAOYSA-N
MW629.76 g/mol
LogP7.64
Rot. Bonds6

About 3-[8-(2,6-difluorophenyl)-7-oxido-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-8H-1,7-naphthyridin-4-yl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide

3-[8-(2,6-difluorophenyl)-7-oxido-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-8H-1,7-naphthyridin-4-yl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 87637843) has the molecular formula C34H35F2N6O2S- and a molecular weight of 629.76 g/mol. Its IUPAC name is 3-[8-(2,6-difluorophenyl)-7-oxido-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-8H-1,7-naphthyridin-4-yl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[8-(2,6-difluorophenyl)-7-oxido-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-8H-1,7-naphthyridin-4-yl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID87637843
Molecular FormulaC34H35F2N6O2S-
Molecular Weight629.76 g/mol
Exact Mass629.25
IUPAC Name3-[8-(2,6-difluorophenyl)-7-oxido-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-8H-1,7-naphthyridin-4-yl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nccs2)cc1-c1cc(NC2CC(C)(C)NC(C)(C)C2)nc2c1C=CN([O-])C2c1c(F)cccc1F
InChIInChI=1S/C34H35F2N6O2S/c1-19-9-10-20(31(43)40-32-37-12-14-45-32)15-23(19)24-16-27(38-21-17-33(2,3)41-34(4,5)18-21)39-29-22(24)11-13-42(44)30(29)28-25(35)7-6-8-26(28)36/h6-16,21,30,41H,17-18H2,1-5H3,(H,38,39)(H,37,40,43)/q-1
InChIKeyHFLMSHFZDJNEFJ-UHFFFAOYSA-N
XLogP7.64
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.76
LogP ≤ 57.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[8-(2,6-difluorophenyl)-7-oxido-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-8H-1,7-naphthyridin-4-yl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[8-(2,6-difluorophenyl)-7-oxido-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-8H-1,7-naphthyridin-4-yl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[8-(2,6-difluorophenyl)-7-oxido-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-8H-1,7-naphthyridin-4-yl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide (CID 87637843) is 3-[8-(2,6-difluorophenyl)-7-oxido-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-8H-1,7-naphthyridin-4-yl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[8-(2,6-difluorophenyl)-7-oxido-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-8H-1,7-naphthyridin-4-yl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[8-(2,6-difluorophenyl)-7-oxido-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-8H-1,7-naphthyridin-4-yl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide is Cc1ccc(C(=O)Nc2nccs2)cc1-c1cc(NC2CC(C)(C)NC(C)(C)C2)nc2c1C=CN([O-])C2c1c(F)cccc1F.
What is the InChIKey of 3-[8-(2,6-difluorophenyl)-7-oxido-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-8H-1,7-naphthyridin-4-yl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is HFLMSHFZDJNEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35F2N6O2S/c1-19-9-10-20(31(43)40-32-37-12-14-45-32)15-23(19)24-16-27(38-21-17-33(2,3)41-34(4,5)18-21)39-29-22(24)11-13-42(44)30(29)28-25(35)7-6-8-26(28)36/h6-16,21,30,41H,17-18H2,1-5H3,(H,38,39)(H,37,40,43)/q-1.
What are the key properties of 3-[8-(2,6-difluorophenyl)-7-oxido-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-8H-1,7-naphthyridin-4-yl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide?
3-[8-(2,6-difluorophenyl)-7-oxido-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-8H-1,7-naphthyridin-4-yl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 629.76 g/mol, XLogP of 7.64, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(2,6-difluorophenyl)-7-oxido-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-8H-1,7-naphthyridin-4-yl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 87637843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).