1-[1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone

C29H31N5O4 — CID 155566332

IUPAC1-[1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone
SMILESCCCOc1ccn2c(C(C)=O)cc(-c3nc4cnccn4c3NCCc3ccc(OC)c(OC)c3)c2c1
InChIInChI=1S/C29H31N5O4/c1-5-14-38-21-9-12-33-23(19(2)35)17-22(24(33)16-21)28-29(34-13-11-30-18-27(34)32-28)31-10-8-20-6-7-25(36-3)26(15-20)37-4/h6-7,9,11-13,15-18,31H,5,8,10,14H2,1-4H3
InChIKeyVLSBTRWIJHQETQ-UHFFFAOYSA-N
MW513.60 g/mol
LogP5.31
Rot. Bonds11

About 1-[1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone

1-[1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone (PubChem CID 155566332) has the molecular formula C29H31N5O4 and a molecular weight of 513.60 g/mol. Its IUPAC name is 1-[1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone
PubChem CID155566332
Molecular FormulaC29H31N5O4
Molecular Weight513.60 g/mol
Exact Mass513.24
IUPAC Name1-[1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone
SMILESCCCOc1ccn2c(C(C)=O)cc(-c3nc4cnccn4c3NCCc3ccc(OC)c(OC)c3)c2c1
InChIInChI=1S/C29H31N5O4/c1-5-14-38-21-9-12-33-23(19(2)35)17-22(24(33)16-21)28-29(34-13-11-30-18-27(34)32-28)31-10-8-20-6-7-25(36-3)26(15-20)37-4/h6-7,9,11-13,15-18,31H,5,8,10,14H2,1-4H3
InChIKeyVLSBTRWIJHQETQ-UHFFFAOYSA-N
XLogP5.31
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-a]pyrazin-3-amine
CID 16668578
1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol
CID 138535939
2-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135674529
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 16675313
2-methoxy-4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135674311
N-(3,4-difluorophenyl)-3-[[2-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
CID 53039989
3-[[2-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 53039983
1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112946865
N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 5306720
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide
CID 112984068
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide
CID 10471777
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-propoxyphenyl)methyl]guanidine
CID 111072841

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
The IUPAC name of 1-[1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone (CID 155566332) is 1-[1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone is CCCOc1ccn2c(C(C)=O)cc(-c3nc4cnccn4c3NCCc3ccc(OC)c(OC)c3)c2c1.
What is the InChIKey of 1-[1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
The InChIKey is VLSBTRWIJHQETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O4/c1-5-14-38-21-9-12-33-23(19(2)35)17-22(24(33)16-21)28-29(34-13-11-30-18-27(34)32-28)31-10-8-20-6-7-25(36-3)26(15-20)37-4/h6-7,9,11-13,15-18,31H,5,8,10,14H2,1-4H3.
What are the key properties of 1-[1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
1-[1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone has a molecular weight of 513.60 g/mol, XLogP of 5.31, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone is sourced from PubChem (CID 155566332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).