5-[[2-[5-(2-chloro-3-methoxyphenyl)-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide

C31H30ClN5O7S — CID 155112453

IUPAC5-[[2-[5-(2-chloro-3-methoxyphenyl)-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCOc1cccc(-c2cn(CC(=O)Nc3ccc4c(c3)CC(C(=O)Nc3ccccn3)C4)c(=O)n(CCS(C)(=O)=O)c2=O)c1Cl
InChIInChI=1S/C31H30ClN5O7S/c1-44-25-7-5-6-23(28(25)32)24-17-36(31(41)37(30(24)40)12-13-45(2,42)43)18-27(38)34-22-10-9-19-14-21(15-20(19)16-22)29(39)35-26-8-3-4-11-33-26/h3-11,16-17,21H,12-15,18H2,1-2H3,(H,34,38)(H,33,35,39)
InChIKeyPYGLQLNVUGZJGO-UHFFFAOYSA-N
MW652.13 g/mol
LogP2.77
Rot. Bonds10

About 5-[[2-[5-(2-chloro-3-methoxyphenyl)-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide

5-[[2-[5-(2-chloro-3-methoxyphenyl)-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 155112453) has the molecular formula C31H30ClN5O7S and a molecular weight of 652.13 g/mol. Its IUPAC name is 5-[[2-[5-(2-chloro-3-methoxyphenyl)-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[5-(2-chloro-3-methoxyphenyl)-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID155112453
Molecular FormulaC31H30ClN5O7S
Molecular Weight652.13 g/mol
Exact Mass651.16
IUPAC Name5-[[2-[5-(2-chloro-3-methoxyphenyl)-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCOc1cccc(-c2cn(CC(=O)Nc3ccc4c(c3)CC(C(=O)Nc3ccccn3)C4)c(=O)n(CCS(C)(=O)=O)c2=O)c1Cl
InChIInChI=1S/C31H30ClN5O7S/c1-44-25-7-5-6-23(28(25)32)24-17-36(31(41)37(30(24)40)12-13-45(2,42)43)18-27(38)34-22-10-9-19-14-21(15-20(19)16-22)29(39)35-26-8-3-4-11-33-26/h3-11,16-17,21H,12-15,18H2,1-2H3,(H,34,38)(H,33,35,39)
InChIKeyPYGLQLNVUGZJGO-UHFFFAOYSA-N
XLogP2.77
TPSA158.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500652.13
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[[2-[5-(2-chloro-3-methoxyphenyl)-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[5-(2-chloro-3-methoxyphenyl)-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of 5-[[2-[5-(2-chloro-3-methoxyphenyl)-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide (CID 155112453) is 5-[[2-[5-(2-chloro-3-methoxyphenyl)-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for 5-[[2-[5-(2-chloro-3-methoxyphenyl)-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for 5-[[2-[5-(2-chloro-3-methoxyphenyl)-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide is COc1cccc(-c2cn(CC(=O)Nc3ccc4c(c3)CC(C(=O)Nc3ccccn3)C4)c(=O)n(CCS(C)(=O)=O)c2=O)c1Cl.
What is the InChIKey of 5-[[2-[5-(2-chloro-3-methoxyphenyl)-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is PYGLQLNVUGZJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30ClN5O7S/c1-44-25-7-5-6-23(28(25)32)24-17-36(31(41)37(30(24)40)12-13-45(2,42)43)18-27(38)34-22-10-9-19-14-21(15-20(19)16-22)29(39)35-26-8-3-4-11-33-26/h3-11,16-17,21H,12-15,18H2,1-2H3,(H,34,38)(H,33,35,39).
What are the key properties of 5-[[2-[5-(2-chloro-3-methoxyphenyl)-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?
5-[[2-[5-(2-chloro-3-methoxyphenyl)-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 652.13 g/mol, XLogP of 2.77, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[5-(2-chloro-3-methoxyphenyl)-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 155112453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).