2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide

C21H24N6O — CID 2334589

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCc3ccccc3C2)n1
InChIInChI=1S/C21H24N6O/c1-14-10-15(2)23-21(22-14)27-19(11-16(3)25-27)24-20(28)13-26-9-8-17-6-4-5-7-18(17)12-26/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,24,28)
InChIKeyFTTSMCBMLYTBFZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.58
Rot. Bonds4

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 2334589) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
PubChem CID2334589
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCc3ccccc3C2)n1
InChIInChI=1S/C21H24N6O/c1-14-10-15(2)23-21(22-14)27-19(11-16(3)25-27)24-20(28)13-26-9-8-17-6-4-5-7-18(17)12-26/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,24,28)
InChIKeyFTTSMCBMLYTBFZ-UHFFFAOYSA-N
XLogP2.58
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(dimethylamino)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138086
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(pyrrolidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138087
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(piperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138088
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138090
N-[6-(6-aminopyridin-2-yl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl]acetamide
CID 25069603
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide
CID 25138072
Difenamizole
CID 65695
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138073
N-[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]ethenyl]phenyl]prop-2-enamide
CID 155804588
1-[4-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]piperidin-1-yl]prop-2-en-1-one
CID 155804589
N-[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]ethenyl]phenyl]prop-2-enamide
CID 162643507
N-[4-[(E)-2-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]ethenyl]phenyl]prop-2-enamide
CID 162650418

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide (CID 2334589) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCc3ccccc3C2)n1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is FTTSMCBMLYTBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-14-10-15(2)23-21(22-14)27-19(11-16(3)25-27)24-20(28)13-26-9-8-17-6-4-5-7-18(17)12-26/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,24,28).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 2334589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).