9H-fluoren-9-ylmethyl 4-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate

C36H37N7O2 — CID 135375621

About 9H-fluoren-9-ylmethyl 4-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate

9H-fluoren-9-ylmethyl 4-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate (PubChem CID 135375621) has the molecular formula C36H37N7O2 and a molecular weight of 599.74 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 4-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl 4-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate
• PubChem CID: 135375621
• Molecular Formula: C36H37N7O2
• Molecular Weight: 599.74 g/mol
• Exact Mass: 599.30
• IUPAC Name: 9H-fluoren-9-ylmethyl 4-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate
• SMILES: CN(Cc1cn2c(N3CCN(C(=O)OCC4c5ccccc5-c5ccccc54)CC3)nccc2n1)C1CCCc2cccnc21
• InChI: InChI=1S/C36H37N7O2/c1-40(32-14-6-8-25-9-7-16-37-34(25)32)22-26-23-43-33(39-26)15-17-38-35(43)41-18-20-42(21-19-41)36(44)45-24-31-29-12-4-2-10-27(29)28-11-3-5-13-30(28)31/h2-5,7,9-13,15-17,23,31-32H,6,8,14,18-22,24H2,1H3
• InChIKey: CYTXOAJZHXZEEW-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 79.10 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.74
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 4-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate?

The IUPAC name of 9H-fluoren-9-ylmethyl 4-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate (CID 135375621) is 9H-fluoren-9-ylmethyl 4-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl 4-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate?

The canonical SMILES for 9H-fluoren-9-ylmethyl 4-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate is CN(Cc1cn2c(N3CCN(C(=O)OCC4c5ccccc5-c5ccccc54)CC3)nccc2n1)C1CCCc2cccnc21.

What is the InChIKey of 9H-fluoren-9-ylmethyl 4-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate?

The InChIKey is CYTXOAJZHXZEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N7O2/c1-40(32-14-6-8-25-9-7-16-37-34(25)32)22-26-23-43-33(39-26)15-17-38-35(43)41-18-20-42(21-19-41)36(44)45-24-31-29-12-4-2-10-27(29)28-11-3-5-13-30(28)31/h2-5,7,9-13,15-17,23,31-32H,6,8,14,18-22,24H2,1H3.

What are the key properties of 9H-fluoren-9-ylmethyl 4-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate?

9H-fluoren-9-ylmethyl 4-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate has a molecular weight of 599.74 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl 4-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate is sourced from PubChem (CID 135375621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).