4-chloro-N-[[2-(6-cyclopropylpyrazin-2-yl)-1,6-naphthyridin-7-yl]methyl]-3-fluoro-5-methylsulfonylbenzamide

C24H19ClFN5O3S — CID 170545018

IUPAC4-chloro-N-[[2-(6-cyclopropylpyrazin-2-yl)-1,6-naphthyridin-7-yl]methyl]-3-fluoro-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)NCc2cc3nc(-c4cncc(C5CC5)n4)ccc3cn2)cc(F)c1Cl
InChIInChI=1S/C24H19ClFN5O3S/c1-35(33,34)22-7-15(6-17(26)23(22)25)24(32)29-10-16-8-19-14(9-28-16)4-5-18(30-19)21-12-27-11-20(31-21)13-2-3-13/h4-9,11-13H,2-3,10H2,1H3,(H,29,32)
InChIKeyVIUACUMRMOIVSD-UHFFFAOYSA-N
MW511.97 g/mol
LogP4.09
Rot. Bonds6

About 4-chloro-N-[[2-(6-cyclopropylpyrazin-2-yl)-1,6-naphthyridin-7-yl]methyl]-3-fluoro-5-methylsulfonylbenzamide

4-chloro-N-[[2-(6-cyclopropylpyrazin-2-yl)-1,6-naphthyridin-7-yl]methyl]-3-fluoro-5-methylsulfonylbenzamide (PubChem CID 170545018) has the molecular formula C24H19ClFN5O3S and a molecular weight of 511.97 g/mol. Its IUPAC name is 4-chloro-N-[[2-(6-cyclopropylpyrazin-2-yl)-1,6-naphthyridin-7-yl]methyl]-3-fluoro-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[[2-(6-cyclopropylpyrazin-2-yl)-1,6-naphthyridin-7-yl]methyl]-3-fluoro-5-methylsulfonylbenzamide
PubChem CID170545018
Molecular FormulaC24H19ClFN5O3S
Molecular Weight511.97 g/mol
Exact Mass511.09
IUPAC Name4-chloro-N-[[2-(6-cyclopropylpyrazin-2-yl)-1,6-naphthyridin-7-yl]methyl]-3-fluoro-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)NCc2cc3nc(-c4cncc(C5CC5)n4)ccc3cn2)cc(F)c1Cl
InChIInChI=1S/C24H19ClFN5O3S/c1-35(33,34)22-7-15(6-17(26)23(22)25)24(32)29-10-16-8-19-14(9-28-16)4-5-18(30-19)21-12-27-11-20(31-21)13-2-3-13/h4-9,11-13H,2-3,10H2,1H3,(H,29,32)
InChIKeyVIUACUMRMOIVSD-UHFFFAOYSA-N
XLogP4.09
TPSA114.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.97
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-N-[[2-(6-cyclopropylpyrazin-2-yl)-1,6-naphthyridin-7-yl]methyl]-1,1-dioxo-3,5-dihydro-2H-4,1λ6-benzoxathiepine-8-carboxamide
CID 170544909
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
4-ethyl-N-[[2-(6-fluoro-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide
CID 176665328
(2S)-N-[[2-(6-cyclopropyl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-6-fluoro-2-methyl-1,1-dioxo-3,5-dihydro-2H-4,1λ6-benzoxathiepine-8-carboxamide
CID 170545170
6-methyl-5-methylsulfonyl-N-[[2-(6-oxo-1H-pyridazin-3-yl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide
CID 176666852
4-methyl-3-methylsulfonyl-N-[[2-[6-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665280
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
N-[[2-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
CID 176666907
3-chloro-N-[[2-[6-[(3R,5S)-4-hydroxy-3,5-dimethylpiperidin-1-yl]-3-methyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylbenzamide
CID 176665930
N-[[2-[6-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 176665510
4-chloro-N-[(2-chloro-1,6-naphthyridin-7-yl)methyl]-3-methylsulfanylbenzamide
CID 176665098
N-[[2-[6-(1,1-dioxo-1,3-thiazinan-3-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 176665279

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-(6-cyclopropylpyrazin-2-yl)-1,6-naphthyridin-7-yl]methyl]-3-fluoro-5-methylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[[2-(6-cyclopropylpyrazin-2-yl)-1,6-naphthyridin-7-yl]methyl]-3-fluoro-5-methylsulfonylbenzamide (CID 170545018) is 4-chloro-N-[[2-(6-cyclopropylpyrazin-2-yl)-1,6-naphthyridin-7-yl]methyl]-3-fluoro-5-methylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[[2-(6-cyclopropylpyrazin-2-yl)-1,6-naphthyridin-7-yl]methyl]-3-fluoro-5-methylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[[2-(6-cyclopropylpyrazin-2-yl)-1,6-naphthyridin-7-yl]methyl]-3-fluoro-5-methylsulfonylbenzamide is CS(=O)(=O)c1cc(C(=O)NCc2cc3nc(-c4cncc(C5CC5)n4)ccc3cn2)cc(F)c1Cl.
What is the InChIKey of 4-chloro-N-[[2-(6-cyclopropylpyrazin-2-yl)-1,6-naphthyridin-7-yl]methyl]-3-fluoro-5-methylsulfonylbenzamide?
The InChIKey is VIUACUMRMOIVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN5O3S/c1-35(33,34)22-7-15(6-17(26)23(22)25)24(32)29-10-16-8-19-14(9-28-16)4-5-18(30-19)21-12-27-11-20(31-21)13-2-3-13/h4-9,11-13H,2-3,10H2,1H3,(H,29,32).
What are the key properties of 4-chloro-N-[[2-(6-cyclopropylpyrazin-2-yl)-1,6-naphthyridin-7-yl]methyl]-3-fluoro-5-methylsulfonylbenzamide?
4-chloro-N-[[2-(6-cyclopropylpyrazin-2-yl)-1,6-naphthyridin-7-yl]methyl]-3-fluoro-5-methylsulfonylbenzamide has a molecular weight of 511.97 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-(6-cyclopropylpyrazin-2-yl)-1,6-naphthyridin-7-yl]methyl]-3-fluoro-5-methylsulfonylbenzamide is sourced from PubChem (CID 170545018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).