4-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-1-(3-methoxyphenyl)pyrrolidin-2-one

C18H19N5O2 — CID 154750941

IUPAC4-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-1-(3-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1cccc(N2CC(NCc3cnc4cnccn34)CC2=O)c1
InChIInChI=1S/C18H19N5O2/c1-25-16-4-2-3-14(8-16)23-12-13(7-18(23)24)20-9-15-10-21-17-11-19-5-6-22(15)17/h2-6,8,10-11,13,20H,7,9,12H2,1H3
InChIKeyKMPAGYQIMFRLRC-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.63
Rot. Bonds5

About 4-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-1-(3-methoxyphenyl)pyrrolidin-2-one

4-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-1-(3-methoxyphenyl)pyrrolidin-2-one (PubChem CID 154750941) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-1-(3-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-1-(3-methoxyphenyl)pyrrolidin-2-one
PubChem CID154750941
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name4-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-1-(3-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1cccc(N2CC(NCc3cnc4cnccn34)CC2=O)c1
InChIInChI=1S/C18H19N5O2/c1-25-16-4-2-3-14(8-16)23-12-13(7-18(23)24)20-9-15-10-21-17-11-19-5-6-22(15)17/h2-6,8,10-11,13,20H,7,9,12H2,1H3
InChIKeyKMPAGYQIMFRLRC-UHFFFAOYSA-N
XLogP1.63
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
1-cycloheptyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544202
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide
CID 43970913
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43970943
1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 119150491
4-tert-butyl-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 167374651
4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548080
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
CID 7255137
ethyl 2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoacetate
CID 7548348
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 125161093
1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544056

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-1-(3-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-1-(3-methoxyphenyl)pyrrolidin-2-one (CID 154750941) is 4-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-1-(3-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-1-(3-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-1-(3-methoxyphenyl)pyrrolidin-2-one is COc1cccc(N2CC(NCc3cnc4cnccn34)CC2=O)c1.
What is the InChIKey of 4-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-1-(3-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is KMPAGYQIMFRLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-25-16-4-2-3-14(8-16)23-12-13(7-18(23)24)20-9-15-10-21-17-11-19-5-6-22(15)17/h2-6,8,10-11,13,20H,7,9,12H2,1H3.
What are the key properties of 4-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-1-(3-methoxyphenyl)pyrrolidin-2-one?
4-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-1-(3-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 337.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-1-(3-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 154750941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).