N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]methanesulfonamide

C22H29N5O3S — CID 67056118

IUPACN-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]methanesulfonamide
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(N3CC(NS(C)(=O)=O)Cc4ccccc43)nc21
InChIInChI=1S/C22H29N5O3S/c1-22(2,3)14-27-18-10-11-19(23-20(18)25(4)21(27)28)26-13-16(24-31(5,29)30)12-15-8-6-7-9-17(15)26/h6-11,16,24H,12-14H2,1-5H3
InChIKeyACSRDWPPHMYJQG-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.39
Rot. Bonds4

About N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]methanesulfonamide

N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]methanesulfonamide (PubChem CID 67056118) has the molecular formula C22H29N5O3S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]methanesulfonamide
PubChem CID67056118
Molecular FormulaC22H29N5O3S
Molecular Weight443.57 g/mol
Exact Mass443.20
IUPAC NameN-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]methanesulfonamide
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(N3CC(NS(C)(=O)=O)Cc4ccccc43)nc21
InChIInChI=1S/C22H29N5O3S/c1-22(2,3)14-27-18-10-11-19(23-20(18)25(4)21(27)28)26-13-16(24-31(5,29)30)12-15-8-6-7-9-17(15)26/h6-11,16,24H,12-14H2,1-5H3
InChIKeyACSRDWPPHMYJQG-UHFFFAOYSA-N
XLogP2.39
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]methanesulfonamide (CID 67056118) is N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]methanesulfonamide is Cn1c(=O)n(CC(C)(C)C)c2ccc(N3CC(NS(C)(=O)=O)Cc4ccccc43)nc21.
What is the InChIKey of N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]methanesulfonamide?
The InChIKey is ACSRDWPPHMYJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3S/c1-22(2,3)14-27-18-10-11-19(23-20(18)25(4)21(27)28)26-13-16(24-31(5,29)30)12-15-8-6-7-9-17(15)26/h6-11,16,24H,12-14H2,1-5H3.
What are the key properties of N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]methanesulfonamide?
N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]methanesulfonamide has a molecular weight of 443.57 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]methanesulfonamide is sourced from PubChem (CID 67056118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).