N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;methane

C42H42N10O5S — CID 159103469

IUPACN,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;methane
SMILESC.CN(C)C(=O)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.CN(C)S(=O)(=O)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1
InChIInChI=1S/C21H19N5O2.C20H19N5O3S.CH4/c1-25(2)21(28)14-3-5-16(6-4-14)24-17-7-8-18(26-12-11-23-20(17)26)15-9-10-22-19(27)13-15;1-24(2)29(27,28)16-5-3-15(4-6-16)23-17-7-8-18(25-12-11-22-20(17)25)14-9-10-21-19(26)13-14;/h3-13,24H,1-2H3,(H,22,27);3-13,23H,1-2H3,(H,21,26);1H4
InChIKeyKDORWOKMKICRDQ-UHFFFAOYSA-N
MW798.93 g/mol
LogP6.45
Rot. Bonds9

About N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;methane

N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;methane (PubChem CID 159103469) has the molecular formula C42H42N10O5S and a molecular weight of 798.93 g/mol. Its IUPAC name is N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;methane.

Molecular Properties

Compound NameN,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;methane
PubChem CID159103469
Molecular FormulaC42H42N10O5S
Molecular Weight798.93 g/mol
Exact Mass798.31
IUPAC NameN,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;methane
SMILESC.CN(C)C(=O)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.CN(C)S(=O)(=O)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1
InChIInChI=1S/C21H19N5O2.C20H19N5O3S.CH4/c1-25(2)21(28)14-3-5-16(6-4-14)24-17-7-8-18(26-12-11-23-20(17)26)15-9-10-22-19(27)13-15;1-24(2)29(27,28)16-5-3-15(4-6-16)23-17-7-8-18(25-12-11-22-20(17)25)14-9-10-21-19(26)13-14;/h3-13,24H,1-2H3,(H,22,27);3-13,23H,1-2H3,(H,21,26);1H4
InChIKeyKDORWOKMKICRDQ-UHFFFAOYSA-N
XLogP6.45
TPSA182.07 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500798.93
LogP ≤ 56.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;methane?
The IUPAC name of N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;methane (CID 159103469) is N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;methane.
What is the SMILES notation for N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;methane?
The canonical SMILES for N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;methane is C.CN(C)C(=O)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.CN(C)S(=O)(=O)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.
What is the InChIKey of N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;methane?
The InChIKey is KDORWOKMKICRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2.C20H19N5O3S.CH4/c1-25(2)21(28)14-3-5-16(6-4-14)24-17-7-8-18(26-12-11-23-20(17)26)15-9-10-22-19(27)13-15;1-24(2)29(27,28)16-5-3-15(4-6-16)23-17-7-8-18(25-12-11-22-20(17)25)14-9-10-21-19(26)13-14;/h3-13,24H,1-2H3,(H,22,27);3-13,23H,1-2H3,(H,21,26);1H4.
What are the key properties of N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;methane?
N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;methane has a molecular weight of 798.93 g/mol, XLogP of 6.45, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N,N-dimethyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;methane is sourced from PubChem (CID 159103469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).