(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide

C19H24N4O — CID 96516852

IUPAC(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
SMILESC[C@H](C(=O)N[C@@H]1CCc2nccn2C1)N1CCc2ccccc2C1
InChIInChI=1S/C19H24N4O/c1-14(22-10-8-15-4-2-3-5-16(15)12-22)19(24)21-17-6-7-18-20-9-11-23(18)13-17/h2-5,9,11,14,17H,6-8,10,12-13H2,1H3,(H,21,24)/t14-,17-/m1/s1
InChIKeyRGZBJANEXACSTR-RHSMWYFYSA-N
MW324.43 g/mol
LogP1.76
Rot. Bonds3

About (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide

(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide (PubChem CID 96516852) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
PubChem CID96516852
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
SMILESC[C@H](C(=O)N[C@@H]1CCc2nccn2C1)N1CCc2ccccc2C1
InChIInChI=1S/C19H24N4O/c1-14(22-10-8-15-4-2-3-5-16(15)12-22)19(24)21-17-6-7-18-20-9-11-23(18)13-17/h2-5,9,11,14,17H,6-8,10,12-13H2,1H3,(H,21,24)/t14-,17-/m1/s1
InChIKeyRGZBJANEXACSTR-RHSMWYFYSA-N
XLogP1.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide?
The IUPAC name of (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide (CID 96516852) is (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide.
What is the SMILES notation for (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide?
The canonical SMILES for (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide is C[C@H](C(=O)N[C@@H]1CCc2nccn2C1)N1CCc2ccccc2C1.
What is the InChIKey of (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide?
The InChIKey is RGZBJANEXACSTR-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14(22-10-8-15-4-2-3-5-16(15)12-22)19(24)21-17-6-7-18-20-9-11-23(18)13-17/h2-5,9,11,14,17H,6-8,10,12-13H2,1H3,(H,21,24)/t14-,17-/m1/s1.
What are the key properties of (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide?
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide has a molecular weight of 324.43 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide is sourced from PubChem (CID 96516852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).