tert-butyl N-[1-[[6-ethynyl-5-[2-(2-methoxy-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate

C30H32N6O4 — CID 118863009

About tert-butyl N-[1-[[6-ethynyl-5-[2-(2-methoxy-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate

tert-butyl N-[1-[[6-ethynyl-5-[2-(2-methoxy-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate (PubChem CID 118863009) has the molecular formula C30H32N6O4 and a molecular weight of 540.62 g/mol. Its IUPAC name is tert-butyl N-[1-[[6-ethynyl-5-[2-(2-methoxy-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[[6-ethynyl-5-[2-(2-methoxy-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
• PubChem CID: 118863009
• Molecular Formula: C30H32N6O4
• Molecular Weight: 540.62 g/mol
• Exact Mass: 540.25
• IUPAC Name: tert-butyl N-[1-[[6-ethynyl-5-[2-(2-methoxy-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
• SMILES: C#Cc1nc(NC(=O)C(C)N(C)C(=O)OC(C)(C)C)ccc1-c1c(-c2cccnc2OC)nc2cc(C)ccn12
• InChI: InChI=1S/C30H32N6O4/c1-9-22-20(12-13-23(32-22)33-27(37)19(3)35(7)29(38)40-30(4,5)6)26-25(21-11-10-15-31-28(21)39-8)34-24-17-18(2)14-16-36(24)26/h1,10-17,19H,2-8H3,(H,32,33,37)
• InChIKey: WYJPFEASZKPFQX-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 110.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.62
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[6-ethynyl-5-[2-(2-methoxy-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate?

The IUPAC name of tert-butyl N-[1-[[6-ethynyl-5-[2-(2-methoxy-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate (CID 118863009) is tert-butyl N-[1-[[6-ethynyl-5-[2-(2-methoxy-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate.

What is the SMILES notation for tert-butyl N-[1-[[6-ethynyl-5-[2-(2-methoxy-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate?

The canonical SMILES for tert-butyl N-[1-[[6-ethynyl-5-[2-(2-methoxy-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate is C#Cc1nc(NC(=O)C(C)N(C)C(=O)OC(C)(C)C)ccc1-c1c(-c2cccnc2OC)nc2cc(C)ccn12.

What is the InChIKey of tert-butyl N-[1-[[6-ethynyl-5-[2-(2-methoxy-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate?

The InChIKey is WYJPFEASZKPFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O4/c1-9-22-20(12-13-23(32-22)33-27(37)19(3)35(7)29(38)40-30(4,5)6)26-25(21-11-10-15-31-28(21)39-8)34-24-17-18(2)14-16-36(24)26/h1,10-17,19H,2-8H3,(H,32,33,37).

What are the key properties of tert-butyl N-[1-[[6-ethynyl-5-[2-(2-methoxy-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate?

tert-butyl N-[1-[[6-ethynyl-5-[2-(2-methoxy-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate has a molecular weight of 540.62 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[[6-ethynyl-5-[2-(2-methoxy-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 118863009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).