tert-butyl 4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]piperidine-1-carboxylate

C34H47N5O5 — CID 142300541

About tert-butyl 4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]piperidine-1-carboxylate

tert-butyl 4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]piperidine-1-carboxylate (PubChem CID 142300541) has the molecular formula C34H47N5O5 and a molecular weight of 605.78 g/mol. Its IUPAC name is tert-butyl 4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]piperidine-1-carboxylate
• PubChem CID: 142300541
• Molecular Formula: C34H47N5O5
• Molecular Weight: 605.78 g/mol
• Exact Mass: 605.36
• IUPAC Name: tert-butyl 4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]piperidine-1-carboxylate
• SMILES: Cc1cc(C)c(CNC(=O)c2cc3cc(C4CCN(C(=O)OC(C)(C)C)CC4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
• InChI: InChI=1S/C34H47N5O5/c1-21-16-22(2)36-32(41)29(21)19-35-31(40)28-18-27-17-26(25-8-10-38(11-9-25)33(42)44-34(5,6)7)20-39(27)30(23(28)3)24(4)37-12-14-43-15-13-37/h16-18,20,24-25H,8-15,19H2,1-7H3,(H,35,40)(H,36,41)
• InChIKey: AYQZXGIVLSLKOJ-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 108.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	605.78
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]piperidine-1-carboxylate (CID 142300541) is tert-butyl 4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]piperidine-1-carboxylate is Cc1cc(C)c(CNC(=O)c2cc3cc(C4CCN(C(=O)OC(C)(C)C)CC4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.

What is the InChIKey of tert-butyl 4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]piperidine-1-carboxylate?

The InChIKey is AYQZXGIVLSLKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47N5O5/c1-21-16-22(2)36-32(41)29(21)19-35-31(40)28-18-27-17-26(25-8-10-38(11-9-25)33(42)44-34(5,6)7)20-39(27)30(23(28)3)24(4)37-12-14-43-15-13-37/h16-18,20,24-25H,8-15,19H2,1-7H3,(H,35,40)(H,36,41).

What are the key properties of tert-butyl 4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]piperidine-1-carboxylate?

tert-butyl 4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]piperidine-1-carboxylate has a molecular weight of 605.78 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 142300541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).