(3R)-N-[2-[3-(dimethylamino)propoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

C26H32N4O4 — CID 124566085

About (3R)-N-[2-[3-(dimethylamino)propoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-N-[2-[3-(dimethylamino)propoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 124566085) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is (3R)-N-[2-[3-(dimethylamino)propoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[2-[3-(dimethylamino)propoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
• PubChem CID: 124566085
• Molecular Formula: C26H32N4O4
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.24
• IUPAC Name: (3R)-N-[2-[3-(dimethylamino)propoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
• SMILES: COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(-c3cn[nH]c3C)cc1OCCCN(C)C)CO2
• InChI: InChI=1S/C26H32N4O4/c1-17-22(15-27-29-17)18-6-8-23(25(14-18)33-11-5-10-30(2)3)28-26(31)20-12-19-13-21(32-4)7-9-24(19)34-16-20/h6-9,13-15,20H,5,10-12,16H2,1-4H3,(H,27,29)(H,28,31)/t20-/m1/s1
• InChIKey: YUAGVNYRJLLEEJ-HXUWFJFHSA-N
• XLogP: 3.91
• TPSA: 88.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[3-(dimethylamino)propoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?

The IUPAC name of (3R)-N-[2-[3-(dimethylamino)propoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (CID 124566085) is (3R)-N-[2-[3-(dimethylamino)propoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.

What is the SMILES notation for (3R)-N-[2-[3-(dimethylamino)propoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?

The canonical SMILES for (3R)-N-[2-[3-(dimethylamino)propoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(-c3cn[nH]c3C)cc1OCCCN(C)C)CO2.

What is the InChIKey of (3R)-N-[2-[3-(dimethylamino)propoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?

The InChIKey is YUAGVNYRJLLEEJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-17-22(15-27-29-17)18-6-8-23(25(14-18)33-11-5-10-30(2)3)28-26(31)20-12-19-13-21(32-4)7-9-24(19)34-16-20/h6-9,13-15,20H,5,10-12,16H2,1-4H3,(H,27,29)(H,28,31)/t20-/m1/s1.

What are the key properties of (3R)-N-[2-[3-(dimethylamino)propoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?

(3R)-N-[2-[3-(dimethylamino)propoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[2-[3-(dimethylamino)propoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 124566085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).