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

C27H35N5O3 — CID 139527074

IUPAC1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]imidazolidin-2-one
SMILESO=C(c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1)N1CCCCC1
InChIInChI=1S/C27H35N5O3/c33-25(19-29-13-10-21-6-2-3-7-23(21)17-29)20-32-15-14-31(27(32)35)18-24-9-8-22(16-28-24)26(34)30-11-4-1-5-12-30/h2-3,6-9,16,25,33H,1,4-5,10-15,17-20H2/t25-/m1/s1
InChIKeyPNSSQUBIOFAMCO-RUZDIDTESA-N
MW477.61 g/mol
LogP2.36
Rot. Bonds7

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

1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]imidazolidin-2-one (PubChem CID 139527074) has the molecular formula C27H35N5O3 and a molecular weight of 477.61 g/mol. Its IUPAC name is 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]imidazolidin-2-one
PubChem CID139527074
Molecular FormulaC27H35N5O3
Molecular Weight477.61 g/mol
Exact Mass477.27
IUPAC Name1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]imidazolidin-2-one
SMILESO=C(c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1)N1CCCCC1
InChIInChI=1S/C27H35N5O3/c33-25(19-29-13-10-21-6-2-3-7-23(21)17-29)20-32-15-14-31(27(32)35)18-24-9-8-22(16-28-24)26(34)30-11-4-1-5-12-30/h2-3,6-9,16,25,33H,1,4-5,10-15,17-20H2/t25-/m1/s1
InChIKeyPNSSQUBIOFAMCO-RUZDIDTESA-N
XLogP2.36
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]imidazolidin-2-one with MolForge

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Related Compounds

N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide
CID 76903444
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide
CID 76902883
N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide
CID 76903265
3-(3-hydroxypropyl)-6-(2-isopropylphenyl)-1-methylpyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione
CID 118874993
3-(3-hydroxypropyl)-5-isopentyl-6-(2-isopropylphenyl)-1-methylpyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione
CID 118875025
N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)picolinamide
CID 76903263
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide
CID 76903264
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 117685721
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridine-3-carboxamide
CID 117685862
[4-(6-Fluoro-3,4-dihydroisoquinolin-2(1H)-yl)piperidin-1-yl][6-(3-methoxypyrrolidin-1-yl)pyridin-3-yl]methanone
CID 122615024
1-[[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]methyl]-3-[3-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one
CID 139519909
US11365205, Example 62
CID 139526855

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]imidazolidin-2-one (CID 139527074) is 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]imidazolidin-2-one is O=C(c1ccc(CN2CCN(C[C@H](O)CN3CCc4ccccc4C3)C2=O)nc1)N1CCCCC1.
What is the InChIKey of 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]imidazolidin-2-one?
The InChIKey is PNSSQUBIOFAMCO-RUZDIDTESA-N. The full InChI is InChI=1S/C27H35N5O3/c33-25(19-29-13-10-21-6-2-3-7-23(21)17-29)20-32-15-14-31(27(32)35)18-24-9-8-22(16-28-24)26(34)30-11-4-1-5-12-30/h2-3,6-9,16,25,33H,1,4-5,10-15,17-20H2/t25-/m1/s1.
What are the key properties of 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]imidazolidin-2-one?
1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]imidazolidin-2-one has a molecular weight of 477.61 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 139527074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).