3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one

C18H17N5O2 — CID 166988820

IUPAC3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one
SMILESCc1nn(-c2ccccn2)c(N)c1C1(O)C(=O)N(C)c2ccccc21
InChIInChI=1S/C18H17N5O2/c1-11-15(16(19)23(21-11)14-9-5-6-10-20-14)18(25)12-7-3-4-8-13(12)22(2)17(18)24/h3-10,25H,19H2,1-2H3
InChIKeyVTBJLXDWERFUFO-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.37
Rot. Bonds2

About 3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one

3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one (PubChem CID 166988820) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one.

Molecular Properties

Compound Name3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one
PubChem CID166988820
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one
SMILESCc1nn(-c2ccccn2)c(N)c1C1(O)C(=O)N(C)c2ccccc21
InChIInChI=1S/C18H17N5O2/c1-11-15(16(19)23(21-11)14-9-5-6-10-20-14)18(25)12-7-3-4-8-13(12)22(2)17(18)24/h3-10,25H,19H2,1-2H3
InChIKeyVTBJLXDWERFUFO-UHFFFAOYSA-N
XLogP1.37
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one?
The IUPAC name of 3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one (CID 166988820) is 3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one.
What is the SMILES notation for 3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one?
The canonical SMILES for 3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one is Cc1nn(-c2ccccn2)c(N)c1C1(O)C(=O)N(C)c2ccccc21.
What is the InChIKey of 3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one?
The InChIKey is VTBJLXDWERFUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-11-15(16(19)23(21-11)14-9-5-6-10-20-14)18(25)12-7-3-4-8-13(12)22(2)17(18)24/h3-10,25H,19H2,1-2H3.
What are the key properties of 3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one?
3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one has a molecular weight of 335.37 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one is sourced from PubChem (CID 166988820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).