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

C26H27FN4O3S — CID 70845232

IUPAC5-(3-ethylsulfonylphenyl)-3-fluoro-8-methyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide
SMILESCCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCNCC3)c(C)c3[nH]c4ncc(F)cc4c23)c1
InChIInChI=1S/C26H27FN4O3S/c1-3-35(33,34)19-6-4-5-16(11-19)21-13-20(26(32)30-18-7-9-28-10-8-18)15(2)24-23(21)22-12-17(27)14-29-25(22)31-24/h4-6,11-14,18,28H,3,7-10H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyNDWDITRYHGPEPS-UHFFFAOYSA-N
MW494.59 g/mol
LogP4.11
Rot. Bonds5

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

5-(3-ethylsulfonylphenyl)-3-fluoro-8-methyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide (PubChem CID 70845232) has the molecular formula C26H27FN4O3S and a molecular weight of 494.59 g/mol. Its IUPAC name is 5-(3-ethylsulfonylphenyl)-3-fluoro-8-methyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide.

Molecular Properties

Compound Name5-(3-ethylsulfonylphenyl)-3-fluoro-8-methyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide
PubChem CID70845232
Molecular FormulaC26H27FN4O3S
Molecular Weight494.59 g/mol
Exact Mass494.18
IUPAC Name5-(3-ethylsulfonylphenyl)-3-fluoro-8-methyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide
SMILESCCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCNCC3)c(C)c3[nH]c4ncc(F)cc4c23)c1
InChIInChI=1S/C26H27FN4O3S/c1-3-35(33,34)19-6-4-5-16(11-19)21-13-20(26(32)30-18-7-9-28-10-8-18)15(2)24-23(21)22-12-17(27)14-29-25(22)31-24/h4-6,11-14,18,28H,3,7-10H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyNDWDITRYHGPEPS-UHFFFAOYSA-N
XLogP4.11
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylsulfonylphenyl)-3-fluoro-8-methyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide?
The IUPAC name of 5-(3-ethylsulfonylphenyl)-3-fluoro-8-methyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide (CID 70845232) is 5-(3-ethylsulfonylphenyl)-3-fluoro-8-methyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide.
What is the SMILES notation for 5-(3-ethylsulfonylphenyl)-3-fluoro-8-methyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide?
The canonical SMILES for 5-(3-ethylsulfonylphenyl)-3-fluoro-8-methyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide is CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCNCC3)c(C)c3[nH]c4ncc(F)cc4c23)c1.
What is the InChIKey of 5-(3-ethylsulfonylphenyl)-3-fluoro-8-methyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide?
The InChIKey is NDWDITRYHGPEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3S/c1-3-35(33,34)19-6-4-5-16(11-19)21-13-20(26(32)30-18-7-9-28-10-8-18)15(2)24-23(21)22-12-17(27)14-29-25(22)31-24/h4-6,11-14,18,28H,3,7-10H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 5-(3-ethylsulfonylphenyl)-3-fluoro-8-methyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide?
5-(3-ethylsulfonylphenyl)-3-fluoro-8-methyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide has a molecular weight of 494.59 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylsulfonylphenyl)-3-fluoro-8-methyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide is sourced from PubChem (CID 70845232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).