1-[1,5-dimethyl-4-[2-[7-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]pyrazol-3-yl]-2,2-dimethylpropan-1-ol

C30H36N6O2 — CID 178168695

IUPAC1-[1,5-dimethyl-4-[2-[7-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]pyrazol-3-yl]-2,2-dimethylpropan-1-ol
SMILESCNCc1cnc2ccc(-c3ccc4cccnc4c3OCCc3c(C(O)C(C)(C)C)nn(C)c3C)cn12
InChIInChI=1S/C30H36N6O2/c1-19-23(27(34-35(19)6)29(37)30(2,3)4)13-15-38-28-24(11-9-20-8-7-14-32-26(20)28)21-10-12-25-33-17-22(16-31-5)36(25)18-21/h7-12,14,17-18,29,31,37H,13,15-16H2,1-6H3
InChIKeyUYTMOGXYVWFDQW-UHFFFAOYSA-N
MW512.66 g/mol
LogP5.01
Rot. Bonds8

About 1-[1,5-dimethyl-4-[2-[7-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]pyrazol-3-yl]-2,2-dimethylpropan-1-ol

1-[1,5-dimethyl-4-[2-[7-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]pyrazol-3-yl]-2,2-dimethylpropan-1-ol (PubChem CID 178168695) has the molecular formula C30H36N6O2 and a molecular weight of 512.66 g/mol. Its IUPAC name is 1-[1,5-dimethyl-4-[2-[7-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]pyrazol-3-yl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-[1,5-dimethyl-4-[2-[7-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]pyrazol-3-yl]-2,2-dimethylpropan-1-ol
PubChem CID178168695
Molecular FormulaC30H36N6O2
Molecular Weight512.66 g/mol
Exact Mass512.29
IUPAC Name1-[1,5-dimethyl-4-[2-[7-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]pyrazol-3-yl]-2,2-dimethylpropan-1-ol
SMILESCNCc1cnc2ccc(-c3ccc4cccnc4c3OCCc3c(C(O)C(C)(C)C)nn(C)c3C)cn12
InChIInChI=1S/C30H36N6O2/c1-19-23(27(34-35(19)6)29(37)30(2,3)4)13-15-38-28-24(11-9-20-8-7-14-32-26(20)28)21-10-12-25-33-17-22(16-31-5)36(25)18-21/h7-12,14,17-18,29,31,37H,13,15-16H2,1-6H3
InChIKeyUYTMOGXYVWFDQW-UHFFFAOYSA-N
XLogP5.01
TPSA89.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.66
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[1,5-dimethyl-4-[2-[7-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]pyrazol-3-yl]-2,2-dimethylpropan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1,5-dimethyl-4-[2-[7-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]pyrazol-3-yl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-[1,5-dimethyl-4-[2-[7-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]pyrazol-3-yl]-2,2-dimethylpropan-1-ol (CID 178168695) is 1-[1,5-dimethyl-4-[2-[7-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]pyrazol-3-yl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-[1,5-dimethyl-4-[2-[7-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]pyrazol-3-yl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-[1,5-dimethyl-4-[2-[7-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]pyrazol-3-yl]-2,2-dimethylpropan-1-ol is CNCc1cnc2ccc(-c3ccc4cccnc4c3OCCc3c(C(O)C(C)(C)C)nn(C)c3C)cn12.
What is the InChIKey of 1-[1,5-dimethyl-4-[2-[7-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]pyrazol-3-yl]-2,2-dimethylpropan-1-ol?
The InChIKey is UYTMOGXYVWFDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O2/c1-19-23(27(34-35(19)6)29(37)30(2,3)4)13-15-38-28-24(11-9-20-8-7-14-32-26(20)28)21-10-12-25-33-17-22(16-31-5)36(25)18-21/h7-12,14,17-18,29,31,37H,13,15-16H2,1-6H3.
What are the key properties of 1-[1,5-dimethyl-4-[2-[7-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]pyrazol-3-yl]-2,2-dimethylpropan-1-ol?
1-[1,5-dimethyl-4-[2-[7-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]pyrazol-3-yl]-2,2-dimethylpropan-1-ol has a molecular weight of 512.66 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,5-dimethyl-4-[2-[7-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]pyrazol-3-yl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 178168695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).