N-methyl-3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline

C18H17N5 — CID 143707013

IUPACN-methyl-3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline
SMILESCNc1cccc(-c2cnc3cc(-n4cnc(C)c4)ccn23)c1
InChIInChI=1S/C18H17N5/c1-13-11-22(12-21-13)16-6-7-23-17(10-20-18(23)9-16)14-4-3-5-15(8-14)19-2/h3-12,19H,1-2H3
InChIKeyZWPLNERSZPFMSK-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.54
Rot. Bonds3

About N-methyl-3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline

N-methyl-3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline (PubChem CID 143707013) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-methyl-3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline.

Molecular Properties

Compound NameN-methyl-3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline
PubChem CID143707013
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC NameN-methyl-3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline
SMILESCNc1cccc(-c2cnc3cc(-n4cnc(C)c4)ccn23)c1
InChIInChI=1S/C18H17N5/c1-13-11-22(12-21-13)16-6-7-23-17(10-20-18(23)9-16)14-4-3-5-15(8-14)19-2/h3-12,19H,1-2H3
InChIKeyZWPLNERSZPFMSK-UHFFFAOYSA-N
XLogP3.54
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline?
The IUPAC name of N-methyl-3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline (CID 143707013) is N-methyl-3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline.
What is the SMILES notation for N-methyl-3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline?
The canonical SMILES for N-methyl-3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline is CNc1cccc(-c2cnc3cc(-n4cnc(C)c4)ccn23)c1.
What is the InChIKey of N-methyl-3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline?
The InChIKey is ZWPLNERSZPFMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-13-11-22(12-21-13)16-6-7-23-17(10-20-18(23)9-16)14-4-3-5-15(8-14)19-2/h3-12,19H,1-2H3.
What are the key properties of N-methyl-3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline?
N-methyl-3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline has a molecular weight of 303.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline is sourced from PubChem (CID 143707013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).