4-[2-(2-chloro-6-methylphenoxy)-5-methylsulfonylphenyl]-6-methyl-7-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C30H31ClN4O6S — CID 87055395

IUPAC4-[2-(2-chloro-6-methylphenoxy)-5-methylsulfonylphenyl]-6-methyl-7-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCc1cccc(Cl)c1Oc1ccc(S(C)(=O)=O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)NCC(=O)N3CCCCC3)cc12
InChIInChI=1S/C30H31ClN4O6S/c1-18-8-7-9-23(31)28(18)41-25-11-10-19(42(3,39)40)14-20(25)22-17-34(2)30(38)27-21(22)15-24(33-27)29(37)32-16-26(36)35-12-5-4-6-13-35/h7-11,14-15,17,33H,4-6,12-13,16H2,1-3H3,(H,32,37)
InChIKeyNMZPYHFDKUDIKE-UHFFFAOYSA-N
MW611.12 g/mol
LogP4.43
Rot. Bonds7

About 4-[2-(2-chloro-6-methylphenoxy)-5-methylsulfonylphenyl]-6-methyl-7-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

4-[2-(2-chloro-6-methylphenoxy)-5-methylsulfonylphenyl]-6-methyl-7-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 87055395) has the molecular formula C30H31ClN4O6S and a molecular weight of 611.12 g/mol. Its IUPAC name is 4-[2-(2-chloro-6-methylphenoxy)-5-methylsulfonylphenyl]-6-methyl-7-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(2-chloro-6-methylphenoxy)-5-methylsulfonylphenyl]-6-methyl-7-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID87055395
Molecular FormulaC30H31ClN4O6S
Molecular Weight611.12 g/mol
Exact Mass610.17
IUPAC Name4-[2-(2-chloro-6-methylphenoxy)-5-methylsulfonylphenyl]-6-methyl-7-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCc1cccc(Cl)c1Oc1ccc(S(C)(=O)=O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)NCC(=O)N3CCCCC3)cc12
InChIInChI=1S/C30H31ClN4O6S/c1-18-8-7-9-23(31)28(18)41-25-11-10-19(42(3,39)40)14-20(25)22-17-34(2)30(38)27-21(22)15-24(33-27)29(37)32-16-26(36)35-12-5-4-6-13-35/h7-11,14-15,17,33H,4-6,12-13,16H2,1-3H3,(H,32,37)
InChIKeyNMZPYHFDKUDIKE-UHFFFAOYSA-N
XLogP4.43
TPSA130.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.12
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-(2-chloro-6-methylphenoxy)-5-methylsulfonylphenyl]-6-methyl-7-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-6-methylphenoxy)-5-methylsulfonylphenyl]-6-methyl-7-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-[2-(2-chloro-6-methylphenoxy)-5-methylsulfonylphenyl]-6-methyl-7-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 87055395) is 4-[2-(2-chloro-6-methylphenoxy)-5-methylsulfonylphenyl]-6-methyl-7-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(2-chloro-6-methylphenoxy)-5-methylsulfonylphenyl]-6-methyl-7-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-[2-(2-chloro-6-methylphenoxy)-5-methylsulfonylphenyl]-6-methyl-7-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is Cc1cccc(Cl)c1Oc1ccc(S(C)(=O)=O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)NCC(=O)N3CCCCC3)cc12.
What is the InChIKey of 4-[2-(2-chloro-6-methylphenoxy)-5-methylsulfonylphenyl]-6-methyl-7-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is NMZPYHFDKUDIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN4O6S/c1-18-8-7-9-23(31)28(18)41-25-11-10-19(42(3,39)40)14-20(25)22-17-34(2)30(38)27-21(22)15-24(33-27)29(37)32-16-26(36)35-12-5-4-6-13-35/h7-11,14-15,17,33H,4-6,12-13,16H2,1-3H3,(H,32,37).
What are the key properties of 4-[2-(2-chloro-6-methylphenoxy)-5-methylsulfonylphenyl]-6-methyl-7-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
4-[2-(2-chloro-6-methylphenoxy)-5-methylsulfonylphenyl]-6-methyl-7-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 611.12 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-6-methylphenoxy)-5-methylsulfonylphenyl]-6-methyl-7-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 87055395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).