1-[2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one

C23H25N9O — CID 121357959

IUPAC1-[2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCN4CCNC4=O)n3)c2)cn1
InChIInChI=1S/C23H25N9O/c1-30-14-18(11-27-30)16-4-3-5-17(10-16)21-26-13-20(19-12-28-31(2)15-19)22(29-21)24-6-8-32-9-7-25-23(32)33/h3-5,10-15H,6-9H2,1-2H3,(H,25,33)(H,24,26,29)
InChIKeyXIFSQCAJQIQDIP-UHFFFAOYSA-N
MW443.52 g/mol
LogP2.38
Rot. Bonds7

About 1-[2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one

1-[2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one (PubChem CID 121357959) has the molecular formula C23H25N9O and a molecular weight of 443.52 g/mol. Its IUPAC name is 1-[2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one
PubChem CID121357959
Molecular FormulaC23H25N9O
Molecular Weight443.52 g/mol
Exact Mass443.22
IUPAC Name1-[2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCN4CCNC4=O)n3)c2)cn1
InChIInChI=1S/C23H25N9O/c1-30-14-18(11-27-30)16-4-3-5-17(10-16)21-26-13-20(19-12-28-31(2)15-19)22(29-21)24-6-8-32-9-7-25-23(32)33/h3-5,10-15H,6-9H2,1-2H3,(H,25,33)(H,24,26,29)
InChIKeyXIFSQCAJQIQDIP-UHFFFAOYSA-N
XLogP2.38
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one (CID 121357959) is 1-[2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one is Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCN4CCNC4=O)n3)c2)cn1.
What is the InChIKey of 1-[2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one?
The InChIKey is XIFSQCAJQIQDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9O/c1-30-14-18(11-27-30)16-4-3-5-17(10-16)21-26-13-20(19-12-28-31(2)15-19)22(29-21)24-6-8-32-9-7-25-23(32)33/h3-5,10-15H,6-9H2,1-2H3,(H,25,33)(H,24,26,29).
What are the key properties of 1-[2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one?
1-[2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one has a molecular weight of 443.52 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 121357959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).