N,N-dimethyl-1-[1-[2-(1-methyl-5-methylsulfonylindol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine

C22H23N7O2S — CID 162643444

IUPACN,N-dimethyl-1-[1-[2-(1-methyl-5-methylsulfonylindol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
SMILESCN(C)Cc1cnn(-c2ccnc3nc(-c4cn(C)c5ccc(S(C)(=O)=O)cc45)[nH]c23)c1
InChIInChI=1S/C22H23N7O2S/c1-27(2)11-14-10-24-29(12-14)19-7-8-23-22-20(19)25-21(26-22)17-13-28(3)18-6-5-15(9-16(17)18)32(4,30)31/h5-10,12-13H,11H2,1-4H3,(H,23,25,26)
InChIKeyZLWBCTCIYQEZKL-UHFFFAOYSA-N
MW449.54 g/mol
LogP2.77
Rot. Bonds5

About N,N-dimethyl-1-[1-[2-(1-methyl-5-methylsulfonylindol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine

N,N-dimethyl-1-[1-[2-(1-methyl-5-methylsulfonylindol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine (PubChem CID 162643444) has the molecular formula C22H23N7O2S and a molecular weight of 449.54 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-[2-(1-methyl-5-methylsulfonylindol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-[2-(1-methyl-5-methylsulfonylindol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
PubChem CID162643444
Molecular FormulaC22H23N7O2S
Molecular Weight449.54 g/mol
Exact Mass449.16
IUPAC NameN,N-dimethyl-1-[1-[2-(1-methyl-5-methylsulfonylindol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
SMILESCN(C)Cc1cnn(-c2ccnc3nc(-c4cn(C)c5ccc(S(C)(=O)=O)cc45)[nH]c23)c1
InChIInChI=1S/C22H23N7O2S/c1-27(2)11-14-10-24-29(12-14)19-7-8-23-22-20(19)25-21(26-22)17-13-28(3)18-6-5-15(9-16(17)18)32(4,30)31/h5-10,12-13H,11H2,1-4H3,(H,23,25,26)
InChIKeyZLWBCTCIYQEZKL-UHFFFAOYSA-N
XLogP2.77
TPSA101.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-[2-(1-methyl-5-methylsulfonylindol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-[2-(1-methyl-5-methylsulfonylindol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine (CID 162643444) is N,N-dimethyl-1-[1-[2-(1-methyl-5-methylsulfonylindol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-[2-(1-methyl-5-methylsulfonylindol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-[2-(1-methyl-5-methylsulfonylindol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine is CN(C)Cc1cnn(-c2ccnc3nc(-c4cn(C)c5ccc(S(C)(=O)=O)cc45)[nH]c23)c1.
What is the InChIKey of N,N-dimethyl-1-[1-[2-(1-methyl-5-methylsulfonylindol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine?
The InChIKey is ZLWBCTCIYQEZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2S/c1-27(2)11-14-10-24-29(12-14)19-7-8-23-22-20(19)25-21(26-22)17-13-28(3)18-6-5-15(9-16(17)18)32(4,30)31/h5-10,12-13H,11H2,1-4H3,(H,23,25,26).
What are the key properties of N,N-dimethyl-1-[1-[2-(1-methyl-5-methylsulfonylindol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine?
N,N-dimethyl-1-[1-[2-(1-methyl-5-methylsulfonylindol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine has a molecular weight of 449.54 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-[2-(1-methyl-5-methylsulfonylindol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 162643444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).