2-(4-chlorophenoxy)-N-[2-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylacetamide

C27H30ClN3O4 — CID 4182801

IUPAC2-(4-chlorophenoxy)-N-[2-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylacetamide
SMILESCOc1ccccc1C1c2cccn2CCN1C(=O)CN(C(=O)COc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C27H30ClN3O4/c1-19(2)31(26(33)18-35-21-12-10-20(28)11-13-21)17-25(32)30-16-15-29-14-6-8-23(29)27(30)22-7-4-5-9-24(22)34-3/h4-14,19,27H,15-18H2,1-3H3
InChIKeyBEEBIFOLBGHZSO-UHFFFAOYSA-N
MW496.01 g/mol
LogP4.40
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[2-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylacetamide

2-(4-chlorophenoxy)-N-[2-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylacetamide (PubChem CID 4182801) has the molecular formula C27H30ClN3O4 and a molecular weight of 496.01 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylacetamide
PubChem CID4182801
Molecular FormulaC27H30ClN3O4
Molecular Weight496.01 g/mol
Exact Mass495.19
IUPAC Name2-(4-chlorophenoxy)-N-[2-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylacetamide
SMILESCOc1ccccc1C1c2cccn2CCN1C(=O)CN(C(=O)COc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C27H30ClN3O4/c1-19(2)31(26(33)18-35-21-12-10-20(28)11-13-21)17-25(32)30-16-15-29-14-6-8-23(29)27(30)22-7-4-5-9-24(22)34-3/h4-14,19,27H,15-18H2,1-3H3
InChIKeyBEEBIFOLBGHZSO-UHFFFAOYSA-N
XLogP4.40
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.01
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 4201232
2-chloro-N-[2-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 42814012
N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenoxy-N-propan-2-ylacetamide
CID 3976578
3-(4-ethoxyphenyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-1-propan-2-ylurea
CID 4198841
(2-methoxyphenyl)-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 24859265
3-tert-butyl-1-[2-[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1-propan-2-ylurea
CID 3939225
N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-ethylpropanamide
CID 42814082
4-chloro-N-[2-[4-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3546550
N-tert-butyl-N-[2-[(1S)-1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3,3-dimethylbutanamide
CID 93305748
[1-(4-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methoxyphenyl)methanone
CID 24859702
N-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide
CID 5156161
3-methoxy-N-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-ylbenzamide
CID 42788181

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylacetamide (CID 4182801) is 2-(4-chlorophenoxy)-N-[2-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylacetamide is COc1ccccc1C1c2cccn2CCN1C(=O)CN(C(=O)COc1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylacetamide?
The InChIKey is BEEBIFOLBGHZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN3O4/c1-19(2)31(26(33)18-35-21-12-10-20(28)11-13-21)17-25(32)30-16-15-29-14-6-8-23(29)27(30)22-7-4-5-9-24(22)34-3/h4-14,19,27H,15-18H2,1-3H3.
What are the key properties of 2-(4-chlorophenoxy)-N-[2-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylacetamide?
2-(4-chlorophenoxy)-N-[2-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylacetamide has a molecular weight of 496.01 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 4182801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).