[10-carbamoyl-9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indol-7-yl] N,N-dimethylcarbamate

C25H29N5O4 — CID 66666974

IUPAC[10-carbamoyl-9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indol-7-yl] N,N-dimethylcarbamate
SMILESCCc1nc(CCOc2cc(OC(=O)N(C)C)cn3c2c(C(N)=O)c2ccccc23)cn1CC
InChIInChI=1S/C25H29N5O4/c1-5-21-27-16(14-29(21)6-2)11-12-33-20-13-17(34-25(32)28(3)4)15-30-19-10-8-7-9-18(19)22(23(20)30)24(26)31/h7-10,13-15H,5-6,11-12H2,1-4H3,(H2,26,31)
InChIKeyJZYXDBJHBYTWND-UHFFFAOYSA-N
MW463.54 g/mol
LogP3.65
Rot. Bonds8

About [10-carbamoyl-9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indol-7-yl] N,N-dimethylcarbamate

[10-carbamoyl-9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indol-7-yl] N,N-dimethylcarbamate (PubChem CID 66666974) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is [10-carbamoyl-9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indol-7-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[10-carbamoyl-9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indol-7-yl] N,N-dimethylcarbamate
PubChem CID66666974
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Name[10-carbamoyl-9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indol-7-yl] N,N-dimethylcarbamate
SMILESCCc1nc(CCOc2cc(OC(=O)N(C)C)cn3c2c(C(N)=O)c2ccccc23)cn1CC
InChIInChI=1S/C25H29N5O4/c1-5-21-27-16(14-29(21)6-2)11-12-33-20-13-17(34-25(32)28(3)4)15-30-19-10-8-7-9-18(19)22(23(20)30)24(26)31/h7-10,13-15H,5-6,11-12H2,1-4H3,(H2,26,31)
InChIKeyJZYXDBJHBYTWND-UHFFFAOYSA-N
XLogP3.65
TPSA104.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [10-carbamoyl-9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indol-7-yl] N,N-dimethylcarbamate?
The IUPAC name of [10-carbamoyl-9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indol-7-yl] N,N-dimethylcarbamate (CID 66666974) is [10-carbamoyl-9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indol-7-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [10-carbamoyl-9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indol-7-yl] N,N-dimethylcarbamate?
The canonical SMILES for [10-carbamoyl-9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indol-7-yl] N,N-dimethylcarbamate is CCc1nc(CCOc2cc(OC(=O)N(C)C)cn3c2c(C(N)=O)c2ccccc23)cn1CC.
What is the InChIKey of [10-carbamoyl-9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indol-7-yl] N,N-dimethylcarbamate?
The InChIKey is JZYXDBJHBYTWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-5-21-27-16(14-29(21)6-2)11-12-33-20-13-17(34-25(32)28(3)4)15-30-19-10-8-7-9-18(19)22(23(20)30)24(26)31/h7-10,13-15H,5-6,11-12H2,1-4H3,(H2,26,31).
What are the key properties of [10-carbamoyl-9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indol-7-yl] N,N-dimethylcarbamate?
[10-carbamoyl-9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indol-7-yl] N,N-dimethylcarbamate has a molecular weight of 463.54 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [10-carbamoyl-9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indol-7-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 66666974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).