N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide

C23H31F3N4O3S — CID 59315922

IUPACN,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide
SMILESCC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)N(C)C)CCN(CCC(F)(F)F)C2)CC1
InChIInChI=1S/C23H31F3N4O3S/c1-16-6-11-29(12-7-16)22(31)17-4-5-20-18(14-17)19-15-28(13-9-23(24,25)26)10-8-21(19)30(20)34(32,33)27(2)3/h4-5,14,16H,6-13,15H2,1-3H3
InChIKeyMTTQUXMMKJLVQI-UHFFFAOYSA-N
MW500.59 g/mol
LogP3.48
Rot. Bonds5

About N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide

N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide (PubChem CID 59315922) has the molecular formula C23H31F3N4O3S and a molecular weight of 500.59 g/mol. Its IUPAC name is N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide
PubChem CID59315922
Molecular FormulaC23H31F3N4O3S
Molecular Weight500.59 g/mol
Exact Mass500.21
IUPAC NameN,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide
SMILESCC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)N(C)C)CCN(CCC(F)(F)F)C2)CC1
InChIInChI=1S/C23H31F3N4O3S/c1-16-6-11-29(12-7-16)22(31)17-4-5-20-18(14-17)19-15-28(13-9-23(24,25)26)10-8-21(19)30(20)34(32,33)27(2)3/h4-5,14,16H,6-13,15H2,1-3H3
InChIKeyMTTQUXMMKJLVQI-UHFFFAOYSA-N
XLogP3.48
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.59
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-methyl-8-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide
CID 59316006
(4-methylpiperidin-1-yl)-[2-(oxan-4-yl)-5-propan-2-ylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]methanone
CID 57390959
(4-methylpiperidin-1-yl)-(5-propylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)methanone
CID 59315901
(2-cyclopentyl-5-methylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-(5-methylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)methanone
CID 161376951
acetylene;[2-(cyclopropylmethyl)-5-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone
CID 143296378
tert-butyl 5-(3-methylimidazol-3-ium-1-yl)sulfonyl-8-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;trifluoromethanesulfonate
CID 86641500
[5-(dimethylaminosulfanyl)-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone
CID 143296376
methyl 2-[[2-cyclopentyl-8-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]sulfonyl]benzoate
CID 59316016
[5-(2-methoxyethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone
CID 11855948
[2-(cyclohex-3-en-1-ylmethyl)-5-(2-methoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone
CID 11856477
[2-[(2R)-2-hydroxycyclopentyl]-5-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone
CID 59316053
tert-butyl 5-butanoyl-8-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
CID 59315979

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide?
The IUPAC name of N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide (CID 59315922) is N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide is CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)N(C)C)CCN(CCC(F)(F)F)C2)CC1.
What is the InChIKey of N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide?
The InChIKey is MTTQUXMMKJLVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N4O3S/c1-16-6-11-29(12-7-16)22(31)17-4-5-20-18(14-17)19-15-28(13-9-23(24,25)26)10-8-21(19)30(20)34(32,33)27(2)3/h4-5,14,16H,6-13,15H2,1-3H3.
What are the key properties of N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide?
N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide has a molecular weight of 500.59 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide is sourced from PubChem (CID 59315922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).