1-[[5-[(cyclopropylamino)-hydroxymethyl]-2-pyridinyl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one

About 1-[[5-[(cyclopropylamino)-hydroxymethyl]-2-pyridinyl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one

1-[[5-[(cyclopropylamino)-hydroxymethyl]-2-pyridinyl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one (PubChem CID 167218901) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-[[5-[(cyclopropylamino)-hydroxymethyl]-2-pyridinyl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one.

Molecular Properties

Compound Name	1-[[5-[(cyclopropylamino)-hydroxymethyl]-2-pyridinyl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one
PubChem CID	167218901
Molecular Formula	C25H33N5O3
Molecular Weight	451.57 g/mol
Exact Mass	451.26
IUPAC Name	1-[[5-[(cyclopropylamino)-hydroxymethyl]-2-pyridinyl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one
SMILES	O=C1N(Cc2ccc(C(O)NC3CC3)cn2)CCN1C[C@H](O)CN1CCc2ccccc2C1
InChI	InChI=1S/C25H33N5O3/c31-23(16-28-10-9-18-3-1-2-4-20(18)14-28)17-30-12-11-29(25(30)33)15-22-6-5-19(13-26-22)24(32)27-21-7-8-21/h1-6,13,21,23-24,27,31-32H,7-12,14-17H2/t23-,24?/m1/s1
InChIKey	CKZRHGAVMLZZLL-MIHMCVIASA-N
XLogP	1.48
TPSA	92.17 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	9
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.57
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(cyclopropylamino)-hydroxymethyl]-2-pyridinyl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one?

The IUPAC name of 1-[[5-[(cyclopropylamino)-hydroxymethyl]-2-pyridinyl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one (CID 167218901) is 1-[[5-[(cyclopropylamino)-hydroxymethyl]-2-pyridinyl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one.

What is the SMILES notation for 1-[[5-[(cyclopropylamino)-hydroxymethyl]-2-pyridinyl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one?

The canonical SMILES for 1-[[5-[(cyclopropylamino)-hydroxymethyl]-2-pyridinyl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one is O=C1N(Cc2ccc(C(O)NC3CC3)cn2)CCN1C[C@H](O)CN1CCc2ccccc2C1.

What is the InChIKey of 1-[[5-[(cyclopropylamino)-hydroxymethyl]-2-pyridinyl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one?

The InChIKey is CKZRHGAVMLZZLL-MIHMCVIASA-N. The full InChI is InChI=1S/C25H33N5O3/c31-23(16-28-10-9-18-3-1-2-4-20(18)14-28)17-30-12-11-29(25(30)33)15-22-6-5-19(13-26-22)24(32)27-21-7-8-21/h1-6,13,21,23-24,27,31-32H,7-12,14-17H2/t23-,24?/m1/s1.

What are the key properties of 1-[[5-[(cyclopropylamino)-hydroxymethyl]-2-pyridinyl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one?

1-[[5-[(cyclopropylamino)-hydroxymethyl]-2-pyridinyl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one has a molecular weight of 451.57 g/mol, XLogP of 1.48, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-[(cyclopropylamino)-hydroxymethyl]-2-pyridinyl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one is sourced from PubChem (CID 167218901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).