3-[2-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one

C26H29N7O — CID 142748948

IUPAC3-[2-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one
SMILESCC(C)c1cn(C)c(=O)n1-c1ccnc(NC2(c3cn(-c4cccc(C5CC5)c4)cn3)CC2)n1
InChIInChI=1S/C26H29N7O/c1-17(2)21-14-31(3)25(34)33(21)23-9-12-27-24(29-23)30-26(10-11-26)22-15-32(16-28-22)20-6-4-5-19(13-20)18-7-8-18/h4-6,9,12-18H,7-8,10-11H2,1-3H3,(H,27,29,30)
InChIKeyNBYANGSRAKENOX-UHFFFAOYSA-N
MW455.57 g/mol
LogP4.25
Rot. Bonds7

About 3-[2-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one

3-[2-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one (PubChem CID 142748948) has the molecular formula C26H29N7O and a molecular weight of 455.57 g/mol. Its IUPAC name is 3-[2-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name3-[2-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one
PubChem CID142748948
Molecular FormulaC26H29N7O
Molecular Weight455.57 g/mol
Exact Mass455.24
IUPAC Name3-[2-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one
SMILESCC(C)c1cn(C)c(=O)n1-c1ccnc(NC2(c3cn(-c4cccc(C5CC5)c4)cn3)CC2)n1
InChIInChI=1S/C26H29N7O/c1-17(2)21-14-31(3)25(34)33(21)23-9-12-27-24(29-23)30-26(10-11-26)22-15-32(16-28-22)20-6-4-5-19(13-20)18-7-8-18/h4-6,9,12-18H,7-8,10-11H2,1-3H3,(H,27,29,30)
InChIKeyNBYANGSRAKENOX-UHFFFAOYSA-N
XLogP4.25
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one?
The IUPAC name of 3-[2-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one (CID 142748948) is 3-[2-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one.
What is the SMILES notation for 3-[2-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one?
The canonical SMILES for 3-[2-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one is CC(C)c1cn(C)c(=O)n1-c1ccnc(NC2(c3cn(-c4cccc(C5CC5)c4)cn3)CC2)n1.
What is the InChIKey of 3-[2-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one?
The InChIKey is NBYANGSRAKENOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O/c1-17(2)21-14-31(3)25(34)33(21)23-9-12-27-24(29-23)30-26(10-11-26)22-15-32(16-28-22)20-6-4-5-19(13-20)18-7-8-18/h4-6,9,12-18H,7-8,10-11H2,1-3H3,(H,27,29,30).
What are the key properties of 3-[2-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one?
3-[2-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one has a molecular weight of 455.57 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one is sourced from PubChem (CID 142748948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).