7-methyl-2-[(2-methylindazol-5-yl)amino]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid

C18H15N5O3 — CID 123338961

IUPAC7-methyl-2-[(2-methylindazol-5-yl)amino]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCc1ccc2nc(Nc3ccc4nn(C)cc4c3)c(C(=O)O)c(=O)n2c1
InChIInChI=1S/C18H15N5O3/c1-10-3-6-14-20-16(15(18(25)26)17(24)23(14)8-10)19-12-4-5-13-11(7-12)9-22(2)21-13/h3-9,19H,1-2H3,(H,25,26)
InChIKeyGDGLVBLKVXIORD-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.33
Rot. Bonds3

About 7-methyl-2-[(2-methylindazol-5-yl)amino]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid

7-methyl-2-[(2-methylindazol-5-yl)amino]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 123338961) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is 7-methyl-2-[(2-methylindazol-5-yl)amino]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-methyl-2-[(2-methylindazol-5-yl)amino]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID123338961
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC Name7-methyl-2-[(2-methylindazol-5-yl)amino]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCc1ccc2nc(Nc3ccc4nn(C)cc4c3)c(C(=O)O)c(=O)n2c1
InChIInChI=1S/C18H15N5O3/c1-10-3-6-14-20-16(15(18(25)26)17(24)23(14)8-10)19-12-4-5-13-11(7-12)9-22(2)21-13/h3-9,19H,1-2H3,(H,25,26)
InChIKeyGDGLVBLKVXIORD-UHFFFAOYSA-N
XLogP2.33
TPSA101.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(2-methylindazol-5-yl)amino]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-methyl-2-[(2-methylindazol-5-yl)amino]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid (CID 123338961) is 7-methyl-2-[(2-methylindazol-5-yl)amino]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-methyl-2-[(2-methylindazol-5-yl)amino]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-methyl-2-[(2-methylindazol-5-yl)amino]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid is Cc1ccc2nc(Nc3ccc4nn(C)cc4c3)c(C(=O)O)c(=O)n2c1.
What is the InChIKey of 7-methyl-2-[(2-methylindazol-5-yl)amino]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is GDGLVBLKVXIORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c1-10-3-6-14-20-16(15(18(25)26)17(24)23(14)8-10)19-12-4-5-13-11(7-12)9-22(2)21-13/h3-9,19H,1-2H3,(H,25,26).
What are the key properties of 7-methyl-2-[(2-methylindazol-5-yl)amino]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
7-methyl-2-[(2-methylindazol-5-yl)amino]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 349.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(2-methylindazol-5-yl)amino]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 123338961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).