N-[6-[[6-cyclopropyl-8-[[2-(dimethylamino)acetyl]-(2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropanecarboxamide

C25H30N8O3 — CID 165132760

About N-[6-[[6-cyclopropyl-8-[[2-(dimethylamino)acetyl]-(2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropanecarboxamide

N-[6-[[6-cyclopropyl-8-[[2-(dimethylamino)acetyl]-(2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 165132760) has the molecular formula C25H30N8O3 and a molecular weight of 490.57 g/mol. Its IUPAC name is N-[6-[[6-cyclopropyl-8-[[2-(dimethylamino)acetyl]-(2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[6-[[6-cyclopropyl-8-[[2-(dimethylamino)acetyl]-(2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropanecarboxamide
• PubChem CID: 165132760
• Molecular Formula: C25H30N8O3
• Molecular Weight: 490.57 g/mol
• Exact Mass: 490.24
• IUPAC Name: N-[6-[[6-cyclopropyl-8-[[2-(dimethylamino)acetyl]-(2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropanecarboxamide
• SMILES: CN(C)CC(=O)N(CC=O)c1cc(C2CC2)cn2cc(CNc3cc(NC(=O)C4CC4)ncn3)nc12
• InChI: InChI=1S/C25H30N8O3/c1-31(2)14-23(35)33(7-8-34)20-9-18(16-3-4-16)12-32-13-19(29-24(20)32)11-26-21-10-22(28-15-27-21)30-25(36)17-5-6-17/h8-10,12-13,15-17H,3-7,11,14H2,1-2H3,(H2,26,27,28,30,36)
• InChIKey: DAJJZMLGJMVKCO-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 124.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.57
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[[6-cyclopropyl-8-[[2-(dimethylamino)acetyl]-(2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropanecarboxamide?

The IUPAC name of N-[6-[[6-cyclopropyl-8-[[2-(dimethylamino)acetyl]-(2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropanecarboxamide (CID 165132760) is N-[6-[[6-cyclopropyl-8-[[2-(dimethylamino)acetyl]-(2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[6-[[6-cyclopropyl-8-[[2-(dimethylamino)acetyl]-(2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[6-[[6-cyclopropyl-8-[[2-(dimethylamino)acetyl]-(2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropanecarboxamide is CN(C)CC(=O)N(CC=O)c1cc(C2CC2)cn2cc(CNc3cc(NC(=O)C4CC4)ncn3)nc12.

What is the InChIKey of N-[6-[[6-cyclopropyl-8-[[2-(dimethylamino)acetyl]-(2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropanecarboxamide?

The InChIKey is DAJJZMLGJMVKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O3/c1-31(2)14-23(35)33(7-8-34)20-9-18(16-3-4-16)12-32-13-19(29-24(20)32)11-26-21-10-22(28-15-27-21)30-25(36)17-5-6-17/h8-10,12-13,15-17H,3-7,11,14H2,1-2H3,(H2,26,27,28,30,36).

What are the key properties of N-[6-[[6-cyclopropyl-8-[[2-(dimethylamino)acetyl]-(2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropanecarboxamide?

N-[6-[[6-cyclopropyl-8-[[2-(dimethylamino)acetyl]-(2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 490.57 g/mol, XLogP of 2.06, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[6-cyclopropyl-8-[[2-(dimethylamino)acetyl]-(2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 165132760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).