5-cyclopropyl-2-[(4-methoxyphenyl)methyl]-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide

C24H29N3O7S2 — CID 123694688

IUPAC5-cyclopropyl-2-[(4-methoxyphenyl)methyl]-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide
SMILESCOc1ccc(Cc2oc3nc(N(CCCS(C)(=O)=O)S(C)(=O)=O)c(C4CC4)cc3c2C(N)=O)cc1
InChIInChI=1S/C24H29N3O7S2/c1-33-17-9-5-15(6-10-17)13-20-21(22(25)28)19-14-18(16-7-8-16)23(26-24(19)34-20)27(36(3,31)32)11-4-12-35(2,29)30/h5-6,9-10,14,16H,4,7-8,11-13H2,1-3H3,(H2,25,28)
InChIKeyOBSHJHKBHLKYJC-UHFFFAOYSA-N
MW535.64 g/mol
LogP2.60
Rot. Bonds11

About 5-cyclopropyl-2-[(4-methoxyphenyl)methyl]-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide

5-cyclopropyl-2-[(4-methoxyphenyl)methyl]-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide (PubChem CID 123694688) has the molecular formula C24H29N3O7S2 and a molecular weight of 535.64 g/mol. Its IUPAC name is 5-cyclopropyl-2-[(4-methoxyphenyl)methyl]-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-[(4-methoxyphenyl)methyl]-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide
PubChem CID123694688
Molecular FormulaC24H29N3O7S2
Molecular Weight535.64 g/mol
Exact Mass535.14
IUPAC Name5-cyclopropyl-2-[(4-methoxyphenyl)methyl]-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide
SMILESCOc1ccc(Cc2oc3nc(N(CCCS(C)(=O)=O)S(C)(=O)=O)c(C4CC4)cc3c2C(N)=O)cc1
InChIInChI=1S/C24H29N3O7S2/c1-33-17-9-5-15(6-10-17)13-20-21(22(25)28)19-14-18(16-7-8-16)23(26-24(19)34-20)27(36(3,31)32)11-4-12-35(2,29)30/h5-6,9-10,14,16H,4,7-8,11-13H2,1-3H3,(H2,25,28)
InChIKeyOBSHJHKBHLKYJC-UHFFFAOYSA-N
XLogP2.60
TPSA149.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.64
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(cyclopropylmethyl)-2-(4-methylphenyl)-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide
CID 123370387
6-[3-(2-cyanophenoxy)propyl-methylsulfonylamino]-5-ethyl-2-[(4-fluorophenyl)methyl]furo[2,3-b]pyridine-3-carboxamide
CID 123781471
6-[5-aminopentyl(methylsulfonyl)amino]-5-cyclopropyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
CID 54575944
6-[[5-cyclopropyl-2-(4-ethylphenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-6-yl]-methylsulfonylamino]-2-(methoxymethyl)hexanoic acid
CID 76679467
6-[4-bromobutyl(methylsulfonyl)amino]-5-cyclopropyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
CID 54575876
ethyl 6-[[5-cyclopropyl-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridin-6-yl]-methylsulfonylamino]-2-methylsulfonylhexanoate
CID 58052450
5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl-[3-(2H-tetrazol-5-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide
CID 58052436
5-[[5-cyclopropyl-2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-6-yl]-methylsulfonylamino]-2-methoxy-2-methylpentanoic acid
CID 123206401
4-[[5-cyclopropyl-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridin-6-yl]-methylsulfonylamino]butyl-ethoxy-hydroxy-methylphosphanium
CID 123536144
[5-cyclopropyl-2-(4-cyclopropylphenyl)-6-[3-(1,1-dioxothiolan-2-yl)propyl-methylsulfonylamino]furo[2,3-b]pyridin-3-yl] N-methylcarbamate
CID 122472705
5-[[5-cyclopropyl-2-(3-fluoro-4-methylphenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-6-yl]-methylsulfonylamino]pentanoic acid
CID 58052382
2-(4-fluorophenyl)-5-(iodomethyl)-6-[methylsulfonyl(4-methylsulfonylbutyl)amino]furo[2,3-b]pyridine-3-carboxamide
CID 123526694

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[(4-methoxyphenyl)methyl]-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-2-[(4-methoxyphenyl)methyl]-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide (CID 123694688) is 5-cyclopropyl-2-[(4-methoxyphenyl)methyl]-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-[(4-methoxyphenyl)methyl]-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-[(4-methoxyphenyl)methyl]-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide is COc1ccc(Cc2oc3nc(N(CCCS(C)(=O)=O)S(C)(=O)=O)c(C4CC4)cc3c2C(N)=O)cc1.
What is the InChIKey of 5-cyclopropyl-2-[(4-methoxyphenyl)methyl]-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is OBSHJHKBHLKYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O7S2/c1-33-17-9-5-15(6-10-17)13-20-21(22(25)28)19-14-18(16-7-8-16)23(26-24(19)34-20)27(36(3,31)32)11-4-12-35(2,29)30/h5-6,9-10,14,16H,4,7-8,11-13H2,1-3H3,(H2,25,28).
What are the key properties of 5-cyclopropyl-2-[(4-methoxyphenyl)methyl]-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide?
5-cyclopropyl-2-[(4-methoxyphenyl)methyl]-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 535.64 g/mol, XLogP of 2.60, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[(4-methoxyphenyl)methyl]-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 123694688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).