5-(3-ethylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide

C27H30N4O3S — CID 25017533

IUPAC5-(3-ethylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide
SMILESCCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(C)CC3)c(C)c3[nH]c4ncccc4c23)c1
InChIInChI=1S/C27H30N4O3S/c1-4-35(33,34)20-8-5-7-18(15-20)23-16-22(27(32)29-19-10-13-31(3)14-11-19)17(2)25-24(23)21-9-6-12-28-26(21)30-25/h5-9,12,15-16,19H,4,10-11,13-14H2,1-3H3,(H,28,30)(H,29,32)
InChIKeyFKVUUHNQEIBVAF-UHFFFAOYSA-N
MW490.63 g/mol
LogP4.31
Rot. Bonds5

About 5-(3-ethylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide

5-(3-ethylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide (PubChem CID 25017533) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is 5-(3-ethylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide.

Molecular Properties

Compound Name5-(3-ethylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide
PubChem CID25017533
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC Name5-(3-ethylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide
SMILESCCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(C)CC3)c(C)c3[nH]c4ncccc4c23)c1
InChIInChI=1S/C27H30N4O3S/c1-4-35(33,34)20-8-5-7-18(15-20)23-16-22(27(32)29-19-10-13-31(3)14-11-19)17(2)25-24(23)21-9-6-12-28-26(21)30-25/h5-9,12,15-16,19H,4,10-11,13-14H2,1-3H3,(H,28,30)(H,29,32)
InChIKeyFKVUUHNQEIBVAF-UHFFFAOYSA-N
XLogP4.31
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide?
The IUPAC name of 5-(3-ethylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide (CID 25017533) is 5-(3-ethylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide.
What is the SMILES notation for 5-(3-ethylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide?
The canonical SMILES for 5-(3-ethylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide is CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(C)CC3)c(C)c3[nH]c4ncccc4c23)c1.
What is the InChIKey of 5-(3-ethylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide?
The InChIKey is FKVUUHNQEIBVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-4-35(33,34)20-8-5-7-18(15-20)23-16-22(27(32)29-19-10-13-31(3)14-11-19)17(2)25-24(23)21-9-6-12-28-26(21)30-25/h5-9,12,15-16,19H,4,10-11,13-14H2,1-3H3,(H,28,30)(H,29,32).
What are the key properties of 5-(3-ethylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide?
5-(3-ethylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide is sourced from PubChem (CID 25017533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).