1-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]pyridin-2-one

C26H29N5O3 — CID 139513344

IUPAC1-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]pyridin-2-one
SMILESO=C1N(Cc2ccc(-n3ccccc3=O)cn2)CCN1C[C@H](O)CN1CCc2ccccc2C1
InChIInChI=1S/C26H29N5O3/c32-24(18-28-12-10-20-5-1-2-6-21(20)16-28)19-30-14-13-29(26(30)34)17-22-8-9-23(15-27-22)31-11-4-3-7-25(31)33/h1-9,11,15,24,32H,10,12-14,16-19H2/t24-/m1/s1
InChIKeyUCKFGVHCVZLILW-XMMPIXPASA-N
MW459.55 g/mol
LogP1.89
Rot. Bonds7

About 1-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]pyridin-2-one

1-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]pyridin-2-one (PubChem CID 139513344) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 1-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name1-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]pyridin-2-one
PubChem CID139513344
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC Name1-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]pyridin-2-one
SMILESO=C1N(Cc2ccc(-n3ccccc3=O)cn2)CCN1C[C@H](O)CN1CCc2ccccc2C1
InChIInChI=1S/C26H29N5O3/c32-24(18-28-12-10-20-5-1-2-6-21(20)16-28)19-30-14-13-29(26(30)34)17-22-8-9-23(15-27-22)31-11-4-3-7-25(31)33/h1-9,11,15,24,32H,10,12-14,16-19H2/t24-/m1/s1
InChIKeyUCKFGVHCVZLILW-XMMPIXPASA-N
XLogP1.89
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]pyridin-2-one with MolForge

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Related Compounds

CID 68753105
CID 68753105
CID 76684525
CID 76684525
CID 139512959
CID 139512959
CID 139519909
CID 139519909
CID 139526855
CID 139526855
CID 139526962
CID 139526962
CID 139527077
CID 139527077
CID 139527159
CID 139527159
CID 139527166
CID 139527166
CID 149212262
CID 149212262
CID 166637170
CID 166637170
CID 76684726
CID 76684726

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]pyridin-2-one?
The IUPAC name of 1-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]pyridin-2-one (CID 139513344) is 1-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]pyridin-2-one.
What is the SMILES notation for 1-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]pyridin-2-one?
The canonical SMILES for 1-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]pyridin-2-one is O=C1N(Cc2ccc(-n3ccccc3=O)cn2)CCN1C[C@H](O)CN1CCc2ccccc2C1.
What is the InChIKey of 1-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]pyridin-2-one?
The InChIKey is UCKFGVHCVZLILW-XMMPIXPASA-N. The full InChI is InChI=1S/C26H29N5O3/c32-24(18-28-12-10-20-5-1-2-6-21(20)16-28)19-30-14-13-29(26(30)34)17-22-8-9-23(15-27-22)31-11-4-3-7-25(31)33/h1-9,11,15,24,32H,10,12-14,16-19H2/t24-/m1/s1.
What are the key properties of 1-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]pyridin-2-one?
1-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]pyridin-2-one has a molecular weight of 459.55 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 139513344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).