2-amino-7-propan-2-yl-3-(2H-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one

C16H14N6O2 — CID 15571843

IUPAC2-amino-7-propan-2-yl-3-(2H-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one
SMILESCC(C)c1ccc2oc3nc(N)c(-c4nn[nH]n4)cc3c(=O)c2c1
InChIInChI=1S/C16H14N6O2/c1-7(2)8-3-4-12-9(5-8)13(23)10-6-11(15-19-21-22-20-15)14(17)18-16(10)24-12/h3-7H,1-2H3,(H2,17,18)(H,19,20,21,22)
InChIKeyYHCFWEQYIPEHCK-UHFFFAOYSA-N
MW322.33 g/mol
LogP2.23
Rot. Bonds2

About 2-amino-7-propan-2-yl-3-(2H-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one

2-amino-7-propan-2-yl-3-(2H-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one (PubChem CID 15571843) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-amino-7-propan-2-yl-3-(2H-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one.

Molecular Properties

Compound Name2-amino-7-propan-2-yl-3-(2H-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one
PubChem CID15571843
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name2-amino-7-propan-2-yl-3-(2H-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one
SMILESCC(C)c1ccc2oc3nc(N)c(-c4nn[nH]n4)cc3c(=O)c2c1
InChIInChI=1S/C16H14N6O2/c1-7(2)8-3-4-12-9(5-8)13(23)10-6-11(15-19-21-22-20-15)14(17)18-16(10)24-12/h3-7H,1-2H3,(H2,17,18)(H,19,20,21,22)
InChIKeyYHCFWEQYIPEHCK-UHFFFAOYSA-N
XLogP2.23
TPSA123.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-amino-7-propan-2-yl-3-(2H-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-propan-2-yl-3-(2H-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one?
The IUPAC name of 2-amino-7-propan-2-yl-3-(2H-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one (CID 15571843) is 2-amino-7-propan-2-yl-3-(2H-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one.
What is the SMILES notation for 2-amino-7-propan-2-yl-3-(2H-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one?
The canonical SMILES for 2-amino-7-propan-2-yl-3-(2H-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one is CC(C)c1ccc2oc3nc(N)c(-c4nn[nH]n4)cc3c(=O)c2c1.
What is the InChIKey of 2-amino-7-propan-2-yl-3-(2H-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one?
The InChIKey is YHCFWEQYIPEHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c1-7(2)8-3-4-12-9(5-8)13(23)10-6-11(15-19-21-22-20-15)14(17)18-16(10)24-12/h3-7H,1-2H3,(H2,17,18)(H,19,20,21,22).
What are the key properties of 2-amino-7-propan-2-yl-3-(2H-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one?
2-amino-7-propan-2-yl-3-(2H-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one has a molecular weight of 322.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-propan-2-yl-3-(2H-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one is sourced from PubChem (CID 15571843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).