6-methoxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide

C26H30N4O5 — CID 171654739

About 6-methoxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide

6-methoxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 171654739) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is 6-methoxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

• Compound Name: 6-methoxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
• PubChem CID: 171654739
• Molecular Formula: C26H30N4O5
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.22
• IUPAC Name: 6-methoxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
• SMILES: COc1ccc2c(c1)CC(C(=O)Nc1cnn(CC(=O)N(C)CCOc3ccc(C)cc3)c1)CO2
• InChI: InChI=1S/C26H30N4O5/c1-18-4-6-22(7-5-18)34-11-10-29(2)25(31)16-30-15-21(14-27-30)28-26(32)20-12-19-13-23(33-3)8-9-24(19)35-17-20/h4-9,13-15,20H,10-12,16-17H2,1-3H3,(H,28,32)
• InChIKey: XSARIMTYSQMQTR-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 94.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide?

The IUPAC name of 6-methoxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 171654739) is 6-methoxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide.

What is the SMILES notation for 6-methoxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide?

The canonical SMILES for 6-methoxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)CC(C(=O)Nc1cnn(CC(=O)N(C)CCOc3ccc(C)cc3)c1)CO2.

What is the InChIKey of 6-methoxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide?

The InChIKey is XSARIMTYSQMQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-18-4-6-22(7-5-18)34-11-10-29(2)25(31)16-30-15-21(14-27-30)28-26(32)20-12-19-13-23(33-3)8-9-24(19)35-17-20/h4-9,13-15,20H,10-12,16-17H2,1-3H3,(H,28,32).

What are the key properties of 6-methoxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide?

6-methoxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 171654739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).