(5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one

C18H15ClN6O — CID 71248313

IUPAC(5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one
SMILESC=c1[nH]c(=O)n(C)/c1=C\c1cnn2ccc(Nc3cccc(Cl)c3)nc12
InChIInChI=1S/C18H15ClN6O/c1-11-15(24(2)18(26)21-11)8-12-10-20-25-7-6-16(23-17(12)25)22-14-5-3-4-13(19)9-14/h3-10H,1H2,2H3,(H,21,26)(H,22,23)/b15-8-
InChIKeyOJJGRYUBFCPSNG-NVNXTCNLSA-N
MW366.81 g/mol
LogP1.39
Rot. Bonds3

About (5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one

(5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one (PubChem CID 71248313) has the molecular formula C18H15ClN6O and a molecular weight of 366.81 g/mol. Its IUPAC name is (5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one
PubChem CID71248313
Molecular FormulaC18H15ClN6O
Molecular Weight366.81 g/mol
Exact Mass366.10
IUPAC Name(5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one
SMILESC=c1[nH]c(=O)n(C)/c1=C\c1cnn2ccc(Nc3cccc(Cl)c3)nc12
InChIInChI=1S/C18H15ClN6O/c1-11-15(24(2)18(26)21-11)8-12-10-20-25-7-6-16(23-17(12)25)22-14-5-3-4-13(19)9-14/h3-10H,1H2,2H3,(H,21,26)(H,22,23)/b15-8-
InChIKeyOJJGRYUBFCPSNG-NVNXTCNLSA-N
XLogP1.39
TPSA80.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one?
The IUPAC name of (5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one (CID 71248313) is (5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one.
What is the SMILES notation for (5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one?
The canonical SMILES for (5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one is C=c1[nH]c(=O)n(C)/c1=C\c1cnn2ccc(Nc3cccc(Cl)c3)nc12.
What is the InChIKey of (5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one?
The InChIKey is OJJGRYUBFCPSNG-NVNXTCNLSA-N. The full InChI is InChI=1S/C18H15ClN6O/c1-11-15(24(2)18(26)21-11)8-12-10-20-25-7-6-16(23-17(12)25)22-14-5-3-4-13(19)9-14/h3-10H,1H2,2H3,(H,21,26)(H,22,23)/b15-8-.
What are the key properties of (5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one?
(5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one has a molecular weight of 366.81 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one is sourced from PubChem (CID 71248313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).