N-methyl-4-[4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]aniline

C22H19N5O2S2 — CID 23537785

IUPACN-methyl-4-[4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]aniline
SMILESCNc1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4ccc(S(C)(=O)=O)s4)n3c2)cc1
InChIInChI=1S/C22H19N5O2S2/c1-23-16-6-3-14(4-7-16)22-17(11-25-26-22)15-5-9-20-24-12-18(27(20)13-15)19-8-10-21(30-19)31(2,28)29/h3-13,23H,1-2H3,(H,25,26)
InChIKeyXYEISMIPKDPDCD-UHFFFAOYSA-N
MW449.56 g/mol
LogP4.57
Rot. Bonds5

About N-methyl-4-[4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]aniline

N-methyl-4-[4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]aniline (PubChem CID 23537785) has the molecular formula C22H19N5O2S2 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-methyl-4-[4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]aniline.

Molecular Properties

Compound NameN-methyl-4-[4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]aniline
PubChem CID23537785
Molecular FormulaC22H19N5O2S2
Molecular Weight449.56 g/mol
Exact Mass449.10
IUPAC NameN-methyl-4-[4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]aniline
SMILESCNc1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4ccc(S(C)(=O)=O)s4)n3c2)cc1
InChIInChI=1S/C22H19N5O2S2/c1-23-16-6-3-14(4-7-16)22-17(11-25-26-22)15-5-9-20-24-12-18(27(20)13-15)19-8-10-21(30-19)31(2,28)29/h3-13,23H,1-2H3,(H,25,26)
InChIKeyXYEISMIPKDPDCD-UHFFFAOYSA-N
XLogP4.57
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]aniline?
The IUPAC name of N-methyl-4-[4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]aniline (CID 23537785) is N-methyl-4-[4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]aniline.
What is the SMILES notation for N-methyl-4-[4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]aniline?
The canonical SMILES for N-methyl-4-[4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]aniline is CNc1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4ccc(S(C)(=O)=O)s4)n3c2)cc1.
What is the InChIKey of N-methyl-4-[4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]aniline?
The InChIKey is XYEISMIPKDPDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S2/c1-23-16-6-3-14(4-7-16)22-17(11-25-26-22)15-5-9-20-24-12-18(27(20)13-15)19-8-10-21(30-19)31(2,28)29/h3-13,23H,1-2H3,(H,25,26).
What are the key properties of N-methyl-4-[4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]aniline?
N-methyl-4-[4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]aniline has a molecular weight of 449.56 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]aniline is sourced from PubChem (CID 23537785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).