3-[7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]propan-1-amine

C29H33N5O — CID 118407865

About 3-[7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]propan-1-amine

3-[7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]propan-1-amine (PubChem CID 118407865) has the molecular formula C29H33N5O and a molecular weight of 467.62 g/mol. Its IUPAC name is 3-[7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]propan-1-amine.

Molecular Properties

• Compound Name: 3-[7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]propan-1-amine
• PubChem CID: 118407865
• Molecular Formula: C29H33N5O
• Molecular Weight: 467.62 g/mol
• Exact Mass: 467.27
• IUPAC Name: 3-[7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]propan-1-amine
• SMILES: CC(C)c1ccc(COc2ccc(-c3c(-c4ccncc4)nn4c3N(CCCN)CC4)cc2)cc1
• InChI: InChI=1S/C29H33N5O/c1-21(2)23-6-4-22(5-7-23)20-35-26-10-8-24(9-11-26)27-28(25-12-15-31-16-13-25)32-34-19-18-33(29(27)34)17-3-14-30/h4-13,15-16,21H,3,14,17-20,30H2,1-2H3
• InChIKey: ZFVCEWBBULRIMY-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 69.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.62
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]propan-1-amine?

The IUPAC name of 3-[7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]propan-1-amine (CID 118407865) is 3-[7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]propan-1-amine.

What is the SMILES notation for 3-[7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]propan-1-amine?

The canonical SMILES for 3-[7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]propan-1-amine is CC(C)c1ccc(COc2ccc(-c3c(-c4ccncc4)nn4c3N(CCCN)CC4)cc2)cc1.

What is the InChIKey of 3-[7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]propan-1-amine?

The InChIKey is ZFVCEWBBULRIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O/c1-21(2)23-6-4-22(5-7-23)20-35-26-10-8-24(9-11-26)27-28(25-12-15-31-16-13-25)32-34-19-18-33(29(27)34)17-3-14-30/h4-13,15-16,21H,3,14,17-20,30H2,1-2H3.

What are the key properties of 3-[7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]propan-1-amine?

3-[7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]propan-1-amine has a molecular weight of 467.62 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 118407865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).