N-[3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-methylphosphanyl]oxy-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropanamide

C23H38N5O5P — CID 157154343

About N-[3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-methylphosphanyl]oxy-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropanamide

N-[3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-methylphosphanyl]oxy-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropanamide (PubChem CID 157154343) has the molecular formula C23H38N5O5P and a molecular weight of 496.57 g/mol. Its IUPAC name is N-[3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-methylphosphanyl]oxy-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-methylphosphanyl]oxy-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropanamide
• PubChem CID: 157154343
• Molecular Formula: C23H38N5O5P
• Molecular Weight: 496.57 g/mol
• Exact Mass: 496.27
• IUPAC Name: N-[3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-methylphosphanyl]oxy-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropanamide
• SMILES: [2H]CC1OC(n2cnc3c2N=C(NC(=O)C(C)C)CC3=O)C(OC)C1OP(C)N(C(C)C)C(C)C
• InChI: InChI=1S/C23H38N5O5P/c1-12(2)22(30)26-17-10-16(29)18-21(25-17)27(11-24-18)23-20(31-8)19(15(7)32-23)33-34(9)28(13(3)4)14(5)6/h11-15,19-20,23H,10H2,1-9H3,(H,25,26,30)/i7D
• InChIKey: MRSMQXLCDOYMQZ-WHRKIXHSSA-N
• XLogP: 3.65
• TPSA: 107.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.57
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-methylphosphanyl]oxy-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropanamide?

The IUPAC name of N-[3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-methylphosphanyl]oxy-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropanamide (CID 157154343) is N-[3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-methylphosphanyl]oxy-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropanamide.

What is the SMILES notation for N-[3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-methylphosphanyl]oxy-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropanamide?

The canonical SMILES for N-[3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-methylphosphanyl]oxy-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropanamide is [2H]CC1OC(n2cnc3c2N=C(NC(=O)C(C)C)CC3=O)C(OC)C1OP(C)N(C(C)C)C(C)C.

What is the InChIKey of N-[3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-methylphosphanyl]oxy-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropanamide?

The InChIKey is MRSMQXLCDOYMQZ-WHRKIXHSSA-N. The full InChI is InChI=1S/C23H38N5O5P/c1-12(2)22(30)26-17-10-16(29)18-21(25-17)27(11-24-18)23-20(31-8)19(15(7)32-23)33-34(9)28(13(3)4)14(5)6/h11-15,19-20,23H,10H2,1-9H3,(H,25,26,30)/i7D.

What are the key properties of N-[3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-methylphosphanyl]oxy-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropanamide?

N-[3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-methylphosphanyl]oxy-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropanamide has a molecular weight of 496.57 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-methylphosphanyl]oxy-3-methoxyoxolan-2-yl]-7-oxo-6H-imidazo[4,5-b]pyridin-5-yl]-2-methylpropanamide is sourced from PubChem (CID 157154343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).