1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one

C25H25N7O2 — CID 90326603

IUPAC1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one
SMILESCCn1cc(-c2cccc(N3CCN(c4ccc(OC)cc4)C3=O)c2)c(-c2ccnc(N)n2)n1
InChIInChI=1S/C25H25N7O2/c1-3-30-16-21(23(29-30)22-11-12-27-24(26)28-22)17-5-4-6-19(15-17)32-14-13-31(25(32)33)18-7-9-20(34-2)10-8-18/h4-12,15-16H,3,13-14H2,1-2H3,(H2,26,27,28)
InChIKeyLJMXPZWCUDPBKX-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.06
Rot. Bonds6

About 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one

1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one (PubChem CID 90326603) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one
PubChem CID90326603
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one
SMILESCCn1cc(-c2cccc(N3CCN(c4ccc(OC)cc4)C3=O)c2)c(-c2ccnc(N)n2)n1
InChIInChI=1S/C25H25N7O2/c1-3-30-16-21(23(29-30)22-11-12-27-24(26)28-22)17-5-4-6-19(15-17)32-14-13-31(25(32)33)18-7-9-20(34-2)10-8-18/h4-12,15-16H,3,13-14H2,1-2H3,(H2,26,27,28)
InChIKeyLJMXPZWCUDPBKX-UHFFFAOYSA-N
XLogP4.06
TPSA102.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one
CID 162009931
1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 66547836
1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 160511493
1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one
CID 90326664
1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)imidazolidin-2-one
CID 90326662
[3-[3-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]phenyl] formate
CID 58156920
4-[1-ethyl-4-(4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide
CID 19355888
1-[5-(2-aminopyrimidin-4-yl)-6-methyl-2-pyridinyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 159937082
1-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)imidazolidin-2-one
CID 20740841
N-[3-[[4-[1-ethyl-3-(3-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]amino]propyl]-4-fluorobenzenesulfonamide
CID 172676433
4-(2-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 115505211
1-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]-3-methylimidazolidin-2-one
CID 117431163

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one?
The IUPAC name of 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one (CID 90326603) is 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one?
The canonical SMILES for 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one is CCn1cc(-c2cccc(N3CCN(c4ccc(OC)cc4)C3=O)c2)c(-c2ccnc(N)n2)n1.
What is the InChIKey of 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one?
The InChIKey is LJMXPZWCUDPBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-3-30-16-21(23(29-30)22-11-12-27-24(26)28-22)17-5-4-6-19(15-17)32-14-13-31(25(32)33)18-7-9-20(34-2)10-8-18/h4-12,15-16H,3,13-14H2,1-2H3,(H2,26,27,28).
What are the key properties of 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one?
1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one has a molecular weight of 455.52 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 90326603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).