1-[4-[1-(3,4-dimethoxyphenyl)-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine

C27H28N6O2 — CID 167965768

IUPAC1-[4-[1-(3,4-dimethoxyphenyl)-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine
SMILESCOc1ccc(-n2nc(-c3ccc(CN(C)C)cc3)nc2-c2cnc3cc(C)ccn23)cc1OC
InChIInChI=1S/C27H28N6O2/c1-18-12-13-32-22(16-28-25(32)14-18)27-29-26(20-8-6-19(7-9-20)17-31(2)3)30-33(27)21-10-11-23(34-4)24(15-21)35-5/h6-16H,17H2,1-5H3
InChIKeyDXLXYPUCEMPXFZ-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.64
Rot. Bonds7

About 1-[4-[1-(3,4-dimethoxyphenyl)-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine

1-[4-[1-(3,4-dimethoxyphenyl)-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine (PubChem CID 167965768) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 1-[4-[1-(3,4-dimethoxyphenyl)-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[1-(3,4-dimethoxyphenyl)-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine
PubChem CID167965768
Molecular FormulaC27H28N6O2
Molecular Weight468.56 g/mol
Exact Mass468.23
IUPAC Name1-[4-[1-(3,4-dimethoxyphenyl)-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine
SMILESCOc1ccc(-n2nc(-c3ccc(CN(C)C)cc3)nc2-c2cnc3cc(C)ccn23)cc1OC
InChIInChI=1S/C27H28N6O2/c1-18-12-13-32-22(16-28-25(32)14-18)27-29-26(20-8-6-19(7-9-20)17-31(2)3)30-33(27)21-10-11-23(34-4)24(15-21)35-5/h6-16H,17H2,1-5H3
InChIKeyDXLXYPUCEMPXFZ-UHFFFAOYSA-N
XLogP4.64
TPSA69.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3,4-dimethoxyphenyl)-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[1-(3,4-dimethoxyphenyl)-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine (CID 167965768) is 1-[4-[1-(3,4-dimethoxyphenyl)-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[1-(3,4-dimethoxyphenyl)-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[1-(3,4-dimethoxyphenyl)-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine is COc1ccc(-n2nc(-c3ccc(CN(C)C)cc3)nc2-c2cnc3cc(C)ccn23)cc1OC.
What is the InChIKey of 1-[4-[1-(3,4-dimethoxyphenyl)-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is DXLXYPUCEMPXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2/c1-18-12-13-32-22(16-28-25(32)14-18)27-29-26(20-8-6-19(7-9-20)17-31(2)3)30-33(27)21-10-11-23(34-4)24(15-21)35-5/h6-16H,17H2,1-5H3.
What are the key properties of 1-[4-[1-(3,4-dimethoxyphenyl)-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine?
1-[4-[1-(3,4-dimethoxyphenyl)-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 468.56 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3,4-dimethoxyphenyl)-5-(7-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 167965768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).