3-[5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one

C18H18N6O2 — CID 2999210

IUPAC3-[5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one
SMILESCc1cc(C)nc(-n2nc(C)c(C3(O)C(=O)Nc4ccccc43)c2N)n1
InChIInChI=1S/C18H18N6O2/c1-9-8-10(2)21-17(20-9)24-15(19)14(11(3)23-24)18(26)12-6-4-5-7-13(12)22-16(18)25/h4-8,26H,19H2,1-3H3,(H,22,25)
InChIKeyMIAMGPHWXPCMNO-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.36
Rot. Bonds2

About 3-[5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one

3-[5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one (PubChem CID 2999210) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-[5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-[5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one
PubChem CID2999210
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name3-[5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one
SMILESCc1cc(C)nc(-n2nc(C)c(C3(O)C(=O)Nc4ccccc43)c2N)n1
InChIInChI=1S/C18H18N6O2/c1-9-8-10(2)21-17(20-9)24-15(19)14(11(3)23-24)18(26)12-6-4-5-7-13(12)22-16(18)25/h4-8,26H,19H2,1-3H3,(H,22,25)
InChIKeyMIAMGPHWXPCMNO-UHFFFAOYSA-N
XLogP1.36
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-[5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one (CID 2999210) is 3-[5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-[5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-[5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one is Cc1cc(C)nc(-n2nc(C)c(C3(O)C(=O)Nc4ccccc43)c2N)n1.
What is the InChIKey of 3-[5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one?
The InChIKey is MIAMGPHWXPCMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-9-8-10(2)21-17(20-9)24-15(19)14(11(3)23-24)18(26)12-6-4-5-7-13(12)22-16(18)25/h4-8,26H,19H2,1-3H3,(H,22,25).
What are the key properties of 3-[5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one?
3-[5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one has a molecular weight of 350.38 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-4-yl]-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 2999210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).