1-[(3-chlorophenyl)methyl]-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one

C20H18ClN5O2 — CID 134290446

IUPAC1-[(3-chlorophenyl)methyl]-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one
SMILESCOc1cn(Cc2cccc(Cl)c2)c(Nc2cc3[nH]ncc3cc2C)nc1=O
InChIInChI=1S/C20H18ClN5O2/c1-12-6-14-9-22-25-17(14)8-16(12)23-20-24-19(27)18(28-2)11-26(20)10-13-4-3-5-15(21)7-13/h3-9,11H,10H2,1-2H3,(H,22,25)(H,23,24,27)
InChIKeyYOISFQBQCAATSS-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.88
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one

1-[(3-chlorophenyl)methyl]-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one (PubChem CID 134290446) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one
PubChem CID134290446
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC Name1-[(3-chlorophenyl)methyl]-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one
SMILESCOc1cn(Cc2cccc(Cl)c2)c(Nc2cc3[nH]ncc3cc2C)nc1=O
InChIInChI=1S/C20H18ClN5O2/c1-12-6-14-9-22-25-17(14)8-16(12)23-20-24-19(27)18(28-2)11-26(20)10-13-4-3-5-15(21)7-13/h3-9,11H,10H2,1-2H3,(H,22,25)(H,23,24,27)
InChIKeyYOISFQBQCAATSS-UHFFFAOYSA-N
XLogP3.88
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one
CID 134290476
1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one
CID 134290609
1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one
CID 134291075
1-[(3-Chloro-5-fluorophenyl)methyl]-5-methoxy-2-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]pyrimidin-4-one
CID 134291117
1-[(3-chloro-5-fluorophenyl)methyl]-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one
CID 134291215
1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-[(5-methyl-1H-indol-6-yl)amino]pyrimidin-4-one
CID 134291244
1-[(3-chloro-4-fluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]pyrimidin-4-one
CID 134291730
1-[(3-Chloro-4-fluorophenyl)methyl]-5-methoxy-2-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]pyrimidin-4-one
CID 134469066
1-benzyl-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one
CID 134291274
1-[(3-chlorophenyl)methyl]-5-methoxy-2-[(2-methyl-1H-indol-4-yl)amino]pyrimidin-4-one
CID 145174274
N-[(E)-3-[(3-chloro-4-fluorophenyl)methylamino]-2-methoxyprop-2-enoyl]-N'-(5-methyl-1H-indazol-6-yl)carbamimidoyl iodide
CID 137310411
1-chloro-2-fluorobenzene;1-ethyl-5-methoxy-2-[(5-methyl-1H-indol-6-yl)amino]pyrimidin-4-one
CID 145173930

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one (CID 134290446) is 1-[(3-chlorophenyl)methyl]-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one is COc1cn(Cc2cccc(Cl)c2)c(Nc2cc3[nH]ncc3cc2C)nc1=O.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one?
The InChIKey is YOISFQBQCAATSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c1-12-6-14-9-22-25-17(14)8-16(12)23-20-24-19(27)18(28-2)11-26(20)10-13-4-3-5-15(21)7-13/h3-9,11H,10H2,1-2H3,(H,22,25)(H,23,24,27).
What are the key properties of 1-[(3-chlorophenyl)methyl]-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one?
1-[(3-chlorophenyl)methyl]-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one has a molecular weight of 395.85 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one is sourced from PubChem (CID 134290446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).