4-[1-[[8-(1-tert-butylpyrazol-4-yl)-2-methyl-4H-pyrimido[1,2-c]pyrimidin-6-yl]oxy]ethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

C30H38N6O3 — CID 123728981

IUPAC4-[1-[[8-(1-tert-butylpyrazol-4-yl)-2-methyl-4H-pyrimido[1,2-c]pyrimidin-6-yl]oxy]ethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc(C(C)N2CC(C(C)OC3=NC(c4cnn(C(C)(C)C)c4)=CC4=NC(C)=CCN43)CC2=O)cc1
InChIInChI=1S/C30H38N6O3/c1-19-12-13-34-27(32-19)15-26(24-16-31-36(18-24)30(4,5)6)33-29(34)39-21(3)23-14-28(37)35(17-23)20(2)22-8-10-25(38-7)11-9-22/h8-12,15-16,18,20-21,23H,13-14,17H2,1-7H3
InChIKeyUGLDYUVGEDDFEO-UHFFFAOYSA-N
MW530.67 g/mol
LogP4.99
Rot. Bonds6

About 4-[1-[[8-(1-tert-butylpyrazol-4-yl)-2-methyl-4H-pyrimido[1,2-c]pyrimidin-6-yl]oxy]ethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

4-[1-[[8-(1-tert-butylpyrazol-4-yl)-2-methyl-4H-pyrimido[1,2-c]pyrimidin-6-yl]oxy]ethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 123728981) has the molecular formula C30H38N6O3 and a molecular weight of 530.67 g/mol. Its IUPAC name is 4-[1-[[8-(1-tert-butylpyrazol-4-yl)-2-methyl-4H-pyrimido[1,2-c]pyrimidin-6-yl]oxy]ethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[[8-(1-tert-butylpyrazol-4-yl)-2-methyl-4H-pyrimido[1,2-c]pyrimidin-6-yl]oxy]ethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
PubChem CID123728981
Molecular FormulaC30H38N6O3
Molecular Weight530.67 g/mol
Exact Mass530.30
IUPAC Name4-[1-[[8-(1-tert-butylpyrazol-4-yl)-2-methyl-4H-pyrimido[1,2-c]pyrimidin-6-yl]oxy]ethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc(C(C)N2CC(C(C)OC3=NC(c4cnn(C(C)(C)C)c4)=CC4=NC(C)=CCN43)CC2=O)cc1
InChIInChI=1S/C30H38N6O3/c1-19-12-13-34-27(32-19)15-26(24-16-31-36(18-24)30(4,5)6)33-29(34)39-21(3)23-14-28(37)35(17-23)20(2)22-8-10-25(38-7)11-9-22/h8-12,15-16,18,20-21,23H,13-14,17H2,1-7H3
InChIKeyUGLDYUVGEDDFEO-UHFFFAOYSA-N
XLogP4.99
TPSA84.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.67
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[1-[[8-(1-tert-butylpyrazol-4-yl)-2-methyl-4H-pyrimido[1,2-c]pyrimidin-6-yl]oxy]ethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one with MolForge

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Related Compounds

4-[1-(6-bromopyrazolo[1,5-a]pyrazin-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 123463347
(4R)-4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 134325581
6-(1-tert-butylpyrazol-4-yl)-3-(difluoromethyl)-5H-imidazo[4,5-c]pyridin-4-one;(4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-3-(difluoromethyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-2-one
CID 158894749
4-(1-hydroxypropyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 123475689
4-[1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 123206789
4-(hydroxymethyl)-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 163594189
(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one
CID 157445580
tert-butyl 1-[1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 130348391
1-[1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbaldehyde
CID 123749070
1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713263
(4R)-4-[1-[2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-4-yl]oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 175132842
1-tert-butylpyrazole;1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 158872244

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[8-(1-tert-butylpyrazol-4-yl)-2-methyl-4H-pyrimido[1,2-c]pyrimidin-6-yl]oxy]ethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-[[8-(1-tert-butylpyrazol-4-yl)-2-methyl-4H-pyrimido[1,2-c]pyrimidin-6-yl]oxy]ethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (CID 123728981) is 4-[1-[[8-(1-tert-butylpyrazol-4-yl)-2-methyl-4H-pyrimido[1,2-c]pyrimidin-6-yl]oxy]ethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[[8-(1-tert-butylpyrazol-4-yl)-2-methyl-4H-pyrimido[1,2-c]pyrimidin-6-yl]oxy]ethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-[[8-(1-tert-butylpyrazol-4-yl)-2-methyl-4H-pyrimido[1,2-c]pyrimidin-6-yl]oxy]ethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is COc1ccc(C(C)N2CC(C(C)OC3=NC(c4cnn(C(C)(C)C)c4)=CC4=NC(C)=CCN43)CC2=O)cc1.
What is the InChIKey of 4-[1-[[8-(1-tert-butylpyrazol-4-yl)-2-methyl-4H-pyrimido[1,2-c]pyrimidin-6-yl]oxy]ethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is UGLDYUVGEDDFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O3/c1-19-12-13-34-27(32-19)15-26(24-16-31-36(18-24)30(4,5)6)33-29(34)39-21(3)23-14-28(37)35(17-23)20(2)22-8-10-25(38-7)11-9-22/h8-12,15-16,18,20-21,23H,13-14,17H2,1-7H3.
What are the key properties of 4-[1-[[8-(1-tert-butylpyrazol-4-yl)-2-methyl-4H-pyrimido[1,2-c]pyrimidin-6-yl]oxy]ethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
4-[1-[[8-(1-tert-butylpyrazol-4-yl)-2-methyl-4H-pyrimido[1,2-c]pyrimidin-6-yl]oxy]ethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 530.67 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[8-(1-tert-butylpyrazol-4-yl)-2-methyl-4H-pyrimido[1,2-c]pyrimidin-6-yl]oxy]ethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 123728981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).