3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid;hydroxylamine

C18H17N7O3 — CID 69378660

IUPAC3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid;hydroxylamine
SMILESCc1cccc(-c2nc3ccc(C(=O)O)cn3c2-c2ccnc(N)n2)n1.NO
InChIInChI=1S/C18H14N6O2.H3NO/c1-10-3-2-4-12(21-10)15-16(13-7-8-20-18(19)22-13)24-9-11(17(25)26)5-6-14(24)23-15;1-2/h2-9H,1H3,(H,25,26)(H2,19,20,22);2H,1H2
InChIKeyFCDBSVLQTLKRBS-UHFFFAOYSA-N
MW379.38 g/mol
LogP1.78
Rot. Bonds3

About 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid;hydroxylamine

3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid;hydroxylamine (PubChem CID 69378660) has the molecular formula C18H17N7O3 and a molecular weight of 379.38 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid;hydroxylamine.

Molecular Properties

Compound Name3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid;hydroxylamine
PubChem CID69378660
Molecular FormulaC18H17N7O3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC Name3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid;hydroxylamine
SMILESCc1cccc(-c2nc3ccc(C(=O)O)cn3c2-c2ccnc(N)n2)n1.NO
InChIInChI=1S/C18H14N6O2.H3NO/c1-10-3-2-4-12(21-10)15-16(13-7-8-20-18(19)22-13)24-9-11(17(25)26)5-6-14(24)23-15;1-2/h2-9H,1H3,(H,25,26)(H2,19,20,22);2H,1H2
InChIKeyFCDBSVLQTLKRBS-UHFFFAOYSA-N
XLogP1.78
TPSA165.54 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid;hydroxylamine?
The IUPAC name of 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid;hydroxylamine (CID 69378660) is 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid;hydroxylamine.
What is the SMILES notation for 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid;hydroxylamine?
The canonical SMILES for 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid;hydroxylamine is Cc1cccc(-c2nc3ccc(C(=O)O)cn3c2-c2ccnc(N)n2)n1.NO.
What is the InChIKey of 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid;hydroxylamine?
The InChIKey is FCDBSVLQTLKRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2.H3NO/c1-10-3-2-4-12(21-10)15-16(13-7-8-20-18(19)22-13)24-9-11(17(25)26)5-6-14(24)23-15;1-2/h2-9H,1H3,(H,25,26)(H2,19,20,22);2H,1H2.
What are the key properties of 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid;hydroxylamine?
3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid;hydroxylamine has a molecular weight of 379.38 g/mol, XLogP of 1.78, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid;hydroxylamine is sourced from PubChem (CID 69378660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).