N-[[2-[4-fluoro-6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-(2,2,2-trifluoroethylsulfonyl)benzamide;molecular hydrogen

C28H27F4N5O4S — CID 176665893

IUPACN-[[2-[4-fluoro-6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-(2,2,2-trifluoroethylsulfonyl)benzamide;molecular hydrogen
SMILESC[C@H]1CN(c2cc(F)cc(-c3ccc4cnc(CNC(=O)c5ccc(S(=O)(=O)CC(F)(F)F)cc5)cc4n3)n2)CCO1.[H][H]
InChIInChI=1S/C28H25F4N5O4S.H2/c1-17-15-37(8-9-41-17)26-11-20(29)10-25(36-26)23-7-4-19-13-33-21(12-24(19)35-23)14-34-27(38)18-2-5-22(6-3-18)42(39,40)16-28(30,31)32;/h2-7,10-13,17H,8-9,14-16H2,1H3,(H,34,38);1H/t17-;/m0./s1
InChIKeyMZOUDCCBKFTAQN-LMOVPXPDSA-N
MW605.61 g/mol
LogP4.57
Rot. Bonds7

About N-[[2-[4-fluoro-6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-(2,2,2-trifluoroethylsulfonyl)benzamide;molecular hydrogen

N-[[2-[4-fluoro-6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-(2,2,2-trifluoroethylsulfonyl)benzamide;molecular hydrogen (PubChem CID 176665893) has the molecular formula C28H27F4N5O4S and a molecular weight of 605.61 g/mol. Its IUPAC name is N-[[2-[4-fluoro-6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-(2,2,2-trifluoroethylsulfonyl)benzamide;molecular hydrogen.

Molecular Properties

Compound NameN-[[2-[4-fluoro-6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-(2,2,2-trifluoroethylsulfonyl)benzamide;molecular hydrogen
PubChem CID176665893
Molecular FormulaC28H27F4N5O4S
Molecular Weight605.61 g/mol
Exact Mass605.17
IUPAC NameN-[[2-[4-fluoro-6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-(2,2,2-trifluoroethylsulfonyl)benzamide;molecular hydrogen
SMILESC[C@H]1CN(c2cc(F)cc(-c3ccc4cnc(CNC(=O)c5ccc(S(=O)(=O)CC(F)(F)F)cc5)cc4n3)n2)CCO1.[H][H]
InChIInChI=1S/C28H25F4N5O4S.H2/c1-17-15-37(8-9-41-17)26-11-20(29)10-25(36-26)23-7-4-19-13-33-21(12-24(19)35-23)14-34-27(38)18-2-5-22(6-3-18)42(39,40)16-28(30,31)32;/h2-7,10-13,17H,8-9,14-16H2,1H3,(H,34,38);1H/t17-;/m0./s1
InChIKeyMZOUDCCBKFTAQN-LMOVPXPDSA-N
XLogP4.57
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.61
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(difluoromethylsulfonyl)-N-[[2-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen
CID 176665900
3-chloro-N-[[2-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide
CID 176665236
3-chloro-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-sulfanylbenzamide;difluoromethane
CID 176665372
N-[[2-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-formyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide;molecular hydrogen
CID 176665222
N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboxamide
CID 176666719
4-(difluoromethyl)-N-[[2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide
CID 170544628
N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide
CID 176665353
N-[[2-[6-[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-chloro-3-methylsulfonylbenzamide
CID 170544789
CID 176665731
CID 176665731
N-[[2-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-(1-hydroxyethyl)-5-methylpyridine-2-carboxamide
CID 176666774
3-(difluoromethoxy)-5-(difluoromethylsulfonyl)-N-[[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen
CID 176665872
N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-ethyl-2-fluoro-4-methylbenzamide
CID 176665250

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-fluoro-6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-(2,2,2-trifluoroethylsulfonyl)benzamide;molecular hydrogen?
The IUPAC name of N-[[2-[4-fluoro-6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-(2,2,2-trifluoroethylsulfonyl)benzamide;molecular hydrogen (CID 176665893) is N-[[2-[4-fluoro-6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-(2,2,2-trifluoroethylsulfonyl)benzamide;molecular hydrogen.
What is the SMILES notation for N-[[2-[4-fluoro-6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-(2,2,2-trifluoroethylsulfonyl)benzamide;molecular hydrogen?
The canonical SMILES for N-[[2-[4-fluoro-6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-(2,2,2-trifluoroethylsulfonyl)benzamide;molecular hydrogen is C[C@H]1CN(c2cc(F)cc(-c3ccc4cnc(CNC(=O)c5ccc(S(=O)(=O)CC(F)(F)F)cc5)cc4n3)n2)CCO1.[H][H].
What is the InChIKey of N-[[2-[4-fluoro-6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-(2,2,2-trifluoroethylsulfonyl)benzamide;molecular hydrogen?
The InChIKey is MZOUDCCBKFTAQN-LMOVPXPDSA-N. The full InChI is InChI=1S/C28H25F4N5O4S.H2/c1-17-15-37(8-9-41-17)26-11-20(29)10-25(36-26)23-7-4-19-13-33-21(12-24(19)35-23)14-34-27(38)18-2-5-22(6-3-18)42(39,40)16-28(30,31)32;/h2-7,10-13,17H,8-9,14-16H2,1H3,(H,34,38);1H/t17-;/m0./s1.
What are the key properties of N-[[2-[4-fluoro-6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-(2,2,2-trifluoroethylsulfonyl)benzamide;molecular hydrogen?
N-[[2-[4-fluoro-6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-(2,2,2-trifluoroethylsulfonyl)benzamide;molecular hydrogen has a molecular weight of 605.61 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-fluoro-6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-(2,2,2-trifluoroethylsulfonyl)benzamide;molecular hydrogen is sourced from PubChem (CID 176665893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).