(5Z)-4-methylidene-5-[[5-[3-(2-methylimidazol-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1,3-thiazolidin-2-one

C21H17N7OS — CID 71248308

IUPAC(5Z)-4-methylidene-5-[[5-[3-(2-methylimidazol-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1,3-thiazolidin-2-one
SMILESC=c1[nH]c(=O)s/c1=C\c1cnn2ccc(Nc3cccc(-n4ccnc4C)c3)nc12
InChIInChI=1S/C21H17N7OS/c1-13-18(30-21(29)24-13)10-15-12-23-28-8-6-19(26-20(15)28)25-16-4-3-5-17(11-16)27-9-7-22-14(27)2/h3-12H,1H2,2H3,(H,24,29)(H,25,26)/b18-10-
InChIKeyZBPPJVWGXDXJDB-ZDLGFXPLSA-N
MW415.48 g/mol
LogP1.96
Rot. Bonds4

About (5Z)-4-methylidene-5-[[5-[3-(2-methylimidazol-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1,3-thiazolidin-2-one

(5Z)-4-methylidene-5-[[5-[3-(2-methylimidazol-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1,3-thiazolidin-2-one (PubChem CID 71248308) has the molecular formula C21H17N7OS and a molecular weight of 415.48 g/mol. Its IUPAC name is (5Z)-4-methylidene-5-[[5-[3-(2-methylimidazol-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-4-methylidene-5-[[5-[3-(2-methylimidazol-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1,3-thiazolidin-2-one
PubChem CID71248308
Molecular FormulaC21H17N7OS
Molecular Weight415.48 g/mol
Exact Mass415.12
IUPAC Name(5Z)-4-methylidene-5-[[5-[3-(2-methylimidazol-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1,3-thiazolidin-2-one
SMILESC=c1[nH]c(=O)s/c1=C\c1cnn2ccc(Nc3cccc(-n4ccnc4C)c3)nc12
InChIInChI=1S/C21H17N7OS/c1-13-18(30-21(29)24-13)10-15-12-23-28-8-6-19(26-20(15)28)25-16-4-3-5-17(11-16)27-9-7-22-14(27)2/h3-12H,1H2,2H3,(H,24,29)(H,25,26)/b18-10-
InChIKeyZBPPJVWGXDXJDB-ZDLGFXPLSA-N
XLogP1.96
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-methylidene-5-[[5-[3-(2-methylimidazol-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-4-methylidene-5-[[5-[3-(2-methylimidazol-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1,3-thiazolidin-2-one (CID 71248308) is (5Z)-4-methylidene-5-[[5-[3-(2-methylimidazol-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-4-methylidene-5-[[5-[3-(2-methylimidazol-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-4-methylidene-5-[[5-[3-(2-methylimidazol-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1,3-thiazolidin-2-one is C=c1[nH]c(=O)s/c1=C\c1cnn2ccc(Nc3cccc(-n4ccnc4C)c3)nc12.
What is the InChIKey of (5Z)-4-methylidene-5-[[5-[3-(2-methylimidazol-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1,3-thiazolidin-2-one?
The InChIKey is ZBPPJVWGXDXJDB-ZDLGFXPLSA-N. The full InChI is InChI=1S/C21H17N7OS/c1-13-18(30-21(29)24-13)10-15-12-23-28-8-6-19(26-20(15)28)25-16-4-3-5-17(11-16)27-9-7-22-14(27)2/h3-12H,1H2,2H3,(H,24,29)(H,25,26)/b18-10-.
What are the key properties of (5Z)-4-methylidene-5-[[5-[3-(2-methylimidazol-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1,3-thiazolidin-2-one?
(5Z)-4-methylidene-5-[[5-[3-(2-methylimidazol-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1,3-thiazolidin-2-one has a molecular weight of 415.48 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-methylidene-5-[[5-[3-(2-methylimidazol-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1,3-thiazolidin-2-one is sourced from PubChem (CID 71248308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).