2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide

C20H23N5O — CID 86285049

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide
SMILESCCC(NC(=O)CN1CCc2ccccc2C1)c1cn2cccnc2n1
InChIInChI=1S/C20H23N5O/c1-2-17(18-13-25-10-5-9-21-20(25)23-18)22-19(26)14-24-11-8-15-6-3-4-7-16(15)12-24/h3-7,9-10,13,17H,2,8,11-12,14H2,1H3,(H,22,26)
InChIKeySPZFCPSOGHAMOM-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.35
Rot. Bonds5

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide (PubChem CID 86285049) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide
PubChem CID86285049
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide
SMILESCCC(NC(=O)CN1CCc2ccccc2C1)c1cn2cccnc2n1
InChIInChI=1S/C20H23N5O/c1-2-17(18-13-25-10-5-9-21-20(25)23-18)22-19(26)14-24-11-8-15-6-3-4-7-16(15)12-24/h3-7,9-10,13,17H,2,8,11-12,14H2,1H3,(H,22,26)
InChIKeySPZFCPSOGHAMOM-UHFFFAOYSA-N
XLogP2.35
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 90651651
N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 97124356
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 86285330
N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 97136855
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
CID 91774291
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 90651094
5-chloro-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]thiophene-2-carboxamide
CID 99973548
1-(furan-2-ylmethyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]piperidine-4-carboxamide
CID 97203744
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
CID 155938444
N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 99973207
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide
CID 126423550
N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 75395212

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide (CID 86285049) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide is CCC(NC(=O)CN1CCc2ccccc2C1)c1cn2cccnc2n1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide?
The InChIKey is SPZFCPSOGHAMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-17(18-13-25-10-5-9-21-20(25)23-18)22-19(26)14-24-11-8-15-6-3-4-7-16(15)12-24/h3-7,9-10,13,17H,2,8,11-12,14H2,1H3,(H,22,26).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide has a molecular weight of 349.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide is sourced from PubChem (CID 86285049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).