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

C20H26N4O — CID 95765302

IUPAC(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
SMILESCc1cn2c(n1)CC[C@@H](NC(=O)[C@H](C)N1CCc3ccccc3C1)C2
InChIInChI=1S/C20H26N4O/c1-14-11-24-13-18(7-8-19(24)21-14)22-20(25)15(2)23-10-9-16-5-3-4-6-17(16)12-23/h3-6,11,15,18H,7-10,12-13H2,1-2H3,(H,22,25)/t15-,18+/m0/s1
InChIKeyVNAVPSFEJNZPJR-MAUKXSAKSA-N
MW338.46 g/mol
LogP2.07
Rot. Bonds3

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

(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide (PubChem CID 95765302) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
PubChem CID95765302
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
SMILESCc1cn2c(n1)CC[C@@H](NC(=O)[C@H](C)N1CCc3ccccc3C1)C2
InChIInChI=1S/C20H26N4O/c1-14-11-24-13-18(7-8-19(24)21-14)22-20(25)15(2)23-10-9-16-5-3-4-6-17(16)12-23/h3-6,11,15,18H,7-10,12-13H2,1-2H3,(H,22,25)/t15-,18+/m0/s1
InChIKeyVNAVPSFEJNZPJR-MAUKXSAKSA-N
XLogP2.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(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
(2R)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-thiophen-2-ylpropanamide
CID 95773674
(2S)-2-methoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
CID 95765991
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(thian-4-yl)propanamide
CID 56786129
(2R)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95765845
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4781124
(2S)-2-methoxy-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-phenylacetamide
CID 95765920
(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butanamide
CID 129448698
methyl (3R)-3-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]amino]piperidine-1-carboxylate
CID 96516984
(2R)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-thiophen-3-ylpropanamide
CID 95773681
(2R)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-thiophen-3-ylpropanamide
CID 95773682
(2S)-2-ethoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
CID 95765907

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide?
The IUPAC name of (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide (CID 95765302) is (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide.
What is the SMILES notation for (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide?
The canonical SMILES for (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide is Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H](C)N1CCc3ccccc3C1)C2.
What is the InChIKey of (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide?
The InChIKey is VNAVPSFEJNZPJR-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14-11-24-13-18(7-8-19(24)21-14)22-20(25)15(2)23-10-9-16-5-3-4-6-17(16)12-23/h3-6,11,15,18H,7-10,12-13H2,1-2H3,(H,22,25)/t15-,18+/m0/s1.
What are the key properties of (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide?
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide has a molecular weight of 338.46 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide is sourced from PubChem (CID 95765302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).