N-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide

C19H20N4O — CID 167833293

IUPACN-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CN(Cc1cnn3ccccc13)CC2
InChIInChI=1S/C19H20N4O/c1-14(24)21-18-6-5-15-7-9-22(12-16(15)10-18)13-17-11-20-23-8-3-2-4-19(17)23/h2-6,8,10-11H,7,9,12-13H2,1H3,(H,21,24)
InChIKeyFMAUCTIMEGEMGS-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.85
Rot. Bonds3

About N-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide

N-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide (PubChem CID 167833293) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide.

Molecular Properties

Compound NameN-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
PubChem CID167833293
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CN(Cc1cnn3ccccc13)CC2
InChIInChI=1S/C19H20N4O/c1-14(24)21-18-6-5-15-7-9-22(12-16(15)10-18)13-17-11-20-23-8-3-2-4-19(17)23/h2-6,8,10-11H,7,9,12-13H2,1H3,(H,21,24)
InChIKeyFMAUCTIMEGEMGS-UHFFFAOYSA-N
XLogP2.85
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yl-6-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915964
N-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide
CID 15167888
N-[2-[(2-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide
CID 42558013
6-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915976
N-[2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 45180223
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-methylpyrazole-5-carboxylic acid
CID 117216576
2-(2-fluorophenyl)-N-[2-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 42118526
2-chloro-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 26324066
N-[2-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide
CID 28697515
N-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide
CID 25273984
N-[2-[(2-prop-2-enoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide
CID 25372072
2-(2-fluorophenyl)-N-(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
CID 28811074

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide?
The IUPAC name of N-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide (CID 167833293) is N-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide.
What is the SMILES notation for N-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide?
The canonical SMILES for N-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide is CC(=O)Nc1ccc2c(c1)CN(Cc1cnn3ccccc13)CC2.
What is the InChIKey of N-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide?
The InChIKey is FMAUCTIMEGEMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14(24)21-18-6-5-15-7-9-22(12-16(15)10-18)13-17-11-20-23-8-3-2-4-19(17)23/h2-6,8,10-11H,7,9,12-13H2,1H3,(H,21,24).
What are the key properties of N-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide?
N-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide has a molecular weight of 320.40 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide is sourced from PubChem (CID 167833293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).