ethyl 3-(6-methylpyrimidin-4-yl)oxypyrido[1,2-a]indole-10-carboxylate

C20H17N3O3 — CID 66666918

IUPACethyl 3-(6-methylpyrimidin-4-yl)oxypyrido[1,2-a]indole-10-carboxylate
SMILESCCOC(=O)c1c2ccc(Oc3cc(C)ncn3)cc2n2ccccc12
InChIInChI=1S/C20H17N3O3/c1-3-25-20(24)19-15-8-7-14(26-18-10-13(2)21-12-22-18)11-17(15)23-9-5-4-6-16(19)23/h4-12H,3H2,1-2H3
InChIKeyCJABHPPAXVAWFX-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.16
Rot. Bonds4

About ethyl 3-(6-methylpyrimidin-4-yl)oxypyrido[1,2-a]indole-10-carboxylate

ethyl 3-(6-methylpyrimidin-4-yl)oxypyrido[1,2-a]indole-10-carboxylate (PubChem CID 66666918) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is ethyl 3-(6-methylpyrimidin-4-yl)oxypyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Nameethyl 3-(6-methylpyrimidin-4-yl)oxypyrido[1,2-a]indole-10-carboxylate
PubChem CID66666918
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Nameethyl 3-(6-methylpyrimidin-4-yl)oxypyrido[1,2-a]indole-10-carboxylate
SMILESCCOC(=O)c1c2ccc(Oc3cc(C)ncn3)cc2n2ccccc12
InChIInChI=1S/C20H17N3O3/c1-3-25-20(24)19-15-8-7-14(26-18-10-13(2)21-12-22-18)11-17(15)23-9-5-4-6-16(19)23/h4-12H,3H2,1-2H3
InChIKeyCJABHPPAXVAWFX-UHFFFAOYSA-N
XLogP4.16
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate
CID 56644234
ethyl 3-(3-methylbutoxy)pyrido[1,2-a]indole-10-carboxylate
CID 56645067
ethyl 3-[2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoethoxy]pyrido[1,2-a]indole-10-carboxylate
CID 3717941
pentyl 3-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66667599
3-methoxypyrido[1,2-a]indole-10-carboxamide
CID 56645534
propyl 3-(1-methylsulfonylpropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate
CID 66666599
methyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
CID 66666855
ethyl 10-methyl-6-oxobenzo[a]quinolizine-7-carboxylate
CID 142738035
methyl 3-[4-amino-1-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
CID 56644027
ethyl 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carboxylate
CID 66667453
2-hydroxybut-3-enyl 3-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66665871
(10-carbamoylpyrido[1,2-a]indol-3-yl) N,N-dimethylcarbamate
CID 56645538

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-methylpyrimidin-4-yl)oxypyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of ethyl 3-(6-methylpyrimidin-4-yl)oxypyrido[1,2-a]indole-10-carboxylate (CID 66666918) is ethyl 3-(6-methylpyrimidin-4-yl)oxypyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for ethyl 3-(6-methylpyrimidin-4-yl)oxypyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for ethyl 3-(6-methylpyrimidin-4-yl)oxypyrido[1,2-a]indole-10-carboxylate is CCOC(=O)c1c2ccc(Oc3cc(C)ncn3)cc2n2ccccc12.
What is the InChIKey of ethyl 3-(6-methylpyrimidin-4-yl)oxypyrido[1,2-a]indole-10-carboxylate?
The InChIKey is CJABHPPAXVAWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-3-25-20(24)19-15-8-7-14(26-18-10-13(2)21-12-22-18)11-17(15)23-9-5-4-6-16(19)23/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 3-(6-methylpyrimidin-4-yl)oxypyrido[1,2-a]indole-10-carboxylate?
ethyl 3-(6-methylpyrimidin-4-yl)oxypyrido[1,2-a]indole-10-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-methylpyrimidin-4-yl)oxypyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 66666918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).