(4Z)-4-[[5-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one

C26H29ClN8O3 — CID 121257360

About (4Z)-4-[[5-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one

(4Z)-4-[[5-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one (PubChem CID 121257360) has the molecular formula C26H29ClN8O3 and a molecular weight of 537.02 g/mol. Its IUPAC name is (4Z)-4-[[5-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one.

Molecular Properties

• Compound Name: (4Z)-4-[[5-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
• PubChem CID: 121257360
• Molecular Formula: C26H29ClN8O3
• Molecular Weight: 537.02 g/mol
• Exact Mass: 536.21
• IUPAC Name: (4Z)-4-[[5-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
• SMILES: C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(OCCN4CCOCC4)c(Cl)c3)nc12
• InChI: InChI=1S/C26H29ClN8O3/c1-16-21(32-26(36)29-16)12-17-15-28-35-24(31-18-2-3-18)14-23(33-25(17)35)30-19-4-5-22(20(27)13-19)38-11-8-34-6-9-37-10-7-34/h4-5,12-15,18,31H,1-3,6-11H2,(H,30,33)(H2,29,32,36)/b21-12-
• InChIKey: CGURZYACLBGYKZ-MTJSOVHGSA-N
• XLogP: 1.67
• TPSA: 124.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.02
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[5-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?

The IUPAC name of (4Z)-4-[[5-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one (CID 121257360) is (4Z)-4-[[5-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one.

What is the SMILES notation for (4Z)-4-[[5-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?

The canonical SMILES for (4Z)-4-[[5-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one is C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(OCCN4CCOCC4)c(Cl)c3)nc12.

What is the InChIKey of (4Z)-4-[[5-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?

The InChIKey is CGURZYACLBGYKZ-MTJSOVHGSA-N. The full InChI is InChI=1S/C26H29ClN8O3/c1-16-21(32-26(36)29-16)12-17-15-28-35-24(31-18-2-3-18)14-23(33-25(17)35)30-19-4-5-22(20(27)13-19)38-11-8-34-6-9-37-10-7-34/h4-5,12-15,18,31H,1-3,6-11H2,(H,30,33)(H2,29,32,36)/b21-12-.

What are the key properties of (4Z)-4-[[5-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?

(4Z)-4-[[5-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one has a molecular weight of 537.02 g/mol, XLogP of 1.67, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-4-[[5-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one is sourced from PubChem (CID 121257360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).