9H-fluoren-9-ylmethyl 4-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate

C35H35N7O3 — CID 135375506

About 9H-fluoren-9-ylmethyl 4-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate

9H-fluoren-9-ylmethyl 4-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate (PubChem CID 135375506) has the molecular formula C35H35N7O3 and a molecular weight of 601.71 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 4-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl 4-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate
• PubChem CID: 135375506
• Molecular Formula: C35H35N7O3
• Molecular Weight: 601.71 g/mol
• Exact Mass: 601.28
• IUPAC Name: 9H-fluoren-9-ylmethyl 4-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate
• SMILES: CN(Cc1cn2c(N3CCN(C(=O)OCC4c5ccccc5-c5ccccc54)CC3)nccc2n1)C1CCOc2cccnc21
• InChI: InChI=1S/C35H35N7O3/c1-39(30-13-20-44-31-11-6-14-36-33(30)31)21-24-22-42-32(38-24)12-15-37-34(42)40-16-18-41(19-17-40)35(43)45-23-29-27-9-4-2-7-25(27)26-8-3-5-10-28(26)29/h2-12,14-15,22,29-30H,13,16-21,23H2,1H3
• InChIKey: FWABHKUNASQBSE-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 88.33 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.71
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 4-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate?

The IUPAC name of 9H-fluoren-9-ylmethyl 4-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate (CID 135375506) is 9H-fluoren-9-ylmethyl 4-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl 4-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate?

The canonical SMILES for 9H-fluoren-9-ylmethyl 4-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate is CN(Cc1cn2c(N3CCN(C(=O)OCC4c5ccccc5-c5ccccc54)CC3)nccc2n1)C1CCOc2cccnc21.

What is the InChIKey of 9H-fluoren-9-ylmethyl 4-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate?

The InChIKey is FWABHKUNASQBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N7O3/c1-39(30-13-20-44-31-11-6-14-36-33(30)31)21-24-22-42-32(38-24)12-15-37-34(42)40-16-18-41(19-17-40)35(43)45-23-29-27-9-4-2-7-25(27)26-8-3-5-10-28(26)29/h2-12,14-15,22,29-30H,13,16-21,23H2,1H3.

What are the key properties of 9H-fluoren-9-ylmethyl 4-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate?

9H-fluoren-9-ylmethyl 4-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate has a molecular weight of 601.71 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl 4-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate is sourced from PubChem (CID 135375506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).