8-[[5-chloro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one

C20H21ClN6O2 — CID 67309504

IUPAC8-[[5-chloro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCOc1nn(C)cc1Nc1cc(Nc2cccc3c2C(=O)N(C)CC3)c(Cl)cn1
InChIInChI=1S/C20H21ClN6O2/c1-26-8-7-12-5-4-6-14(18(12)20(26)28)23-15-9-17(22-10-13(15)21)24-16-11-27(2)25-19(16)29-3/h4-6,9-11H,7-8H2,1-3H3,(H2,22,23,24)
InChIKeyDHRAZRLUXOOXIN-UHFFFAOYSA-N
MW412.88 g/mol
LogP3.59
Rot. Bonds5

About 8-[[5-chloro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one

8-[[5-chloro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one (PubChem CID 67309504) has the molecular formula C20H21ClN6O2 and a molecular weight of 412.88 g/mol. Its IUPAC name is 8-[[5-chloro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name8-[[5-chloro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one
PubChem CID67309504
Molecular FormulaC20H21ClN6O2
Molecular Weight412.88 g/mol
Exact Mass412.14
IUPAC Name8-[[5-chloro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCOc1nn(C)cc1Nc1cc(Nc2cccc3c2C(=O)N(C)CC3)c(Cl)cn1
InChIInChI=1S/C20H21ClN6O2/c1-26-8-7-12-5-4-6-14(18(12)20(26)28)23-15-9-17(22-10-13(15)21)24-16-11-27(2)25-19(16)29-3/h4-6,9-11H,7-8H2,1-3H3,(H2,22,23,24)
InChIKeyDHRAZRLUXOOXIN-UHFFFAOYSA-N
XLogP3.59
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-chloro-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide
CID 141731699
2-[4-[[5-fluoro-4-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-8-yl)amino]-2-pyridinyl]amino]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide
CID 44608713
2-[4-[[5-fluoro-4-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-8-yl)amino]-2-pyridinyl]amino]pyrazol-1-yl]-N-(2-methoxyethyl)-N-methylacetamide
CID 44608714
2-[[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyridin-4-yl]amino]-N-methylbenzamide
CID 58336557
8-[[5-Chloro-2-[[1-(difluoromethyl)-3-methyl-pyrazol-4-yl]amino]-4-pyridyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 58336597
2-[[[2-[(3-Methoxy-1-methylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide
CID 123541168
2-[4-[[5-fluoro-4-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-8-yl)amino]-2-pyridinyl]amino]pyrazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 123542031
2-[[3-methoxy-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]-4-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]pyrimidine-5-carboxamide
CID 163291130
2-[[3-(2,2-difluoroethoxy)-1-methylpyrazol-4-yl]amino]-4-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)amino]pyrimidine-5-carboxamide
CID 163291411
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[5-(2,2-difluoroethoxy)-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 166374049
8-(5-chloro-2-(1-methyl-1H-pyrazol-5-ylamino)pyridin-4-ylamino)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
CID 44609040
8-[[5-Chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 44609041

Frequently Asked Questions

What is the IUPAC name of 8-[[5-chloro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 8-[[5-chloro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one (CID 67309504) is 8-[[5-chloro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 8-[[5-chloro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 8-[[5-chloro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one is COc1nn(C)cc1Nc1cc(Nc2cccc3c2C(=O)N(C)CC3)c(Cl)cn1.
What is the InChIKey of 8-[[5-chloro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is DHRAZRLUXOOXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O2/c1-26-8-7-12-5-4-6-14(18(12)20(26)28)23-15-9-17(22-10-13(15)21)24-16-11-27(2)25-19(16)29-3/h4-6,9-11H,7-8H2,1-3H3,(H2,22,23,24).
What are the key properties of 8-[[5-chloro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one?
8-[[5-chloro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 412.88 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[5-chloro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 67309504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).