3-methoxy-4-pyridin-2-ylbenzoic acid;3-(3-methoxy-4-pyridin-2-ylphenyl)imidazo[1,5-a]pyridine;pyridin-2-ylmethanamine

C38H34N6O4 — CID 158128492

IUPAC3-methoxy-4-pyridin-2-ylbenzoic acid;3-(3-methoxy-4-pyridin-2-ylphenyl)imidazo[1,5-a]pyridine;pyridin-2-ylmethanamine
SMILESCOc1cc(-c2ncc3ccccn23)ccc1-c1ccccn1.COc1cc(C(=O)O)ccc1-c1ccccn1.NCc1ccccn1
InChIInChI=1S/C19H15N3O.C13H11NO3.C6H8N2/c1-23-18-12-14(8-9-16(18)17-7-2-4-10-20-17)19-21-13-15-6-3-5-11-22(15)19;1-17-12-8-9(13(15)16)5-6-10(12)11-4-2-3-7-14-11;7-5-6-3-1-2-4-8-6/h2-13H,1H3;2-8H,1H3,(H,15,16);1-4H,5,7H2
InChIKeyFSLZSHSLLFWQHV-UHFFFAOYSA-N
MW638.73 g/mol
LogP7.07
Rot. Bonds7

About 3-methoxy-4-pyridin-2-ylbenzoic acid;3-(3-methoxy-4-pyridin-2-ylphenyl)imidazo[1,5-a]pyridine;pyridin-2-ylmethanamine

3-methoxy-4-pyridin-2-ylbenzoic acid;3-(3-methoxy-4-pyridin-2-ylphenyl)imidazo[1,5-a]pyridine;pyridin-2-ylmethanamine (PubChem CID 158128492) has the molecular formula C38H34N6O4 and a molecular weight of 638.73 g/mol. Its IUPAC name is 3-methoxy-4-pyridin-2-ylbenzoic acid;3-(3-methoxy-4-pyridin-2-ylphenyl)imidazo[1,5-a]pyridine;pyridin-2-ylmethanamine.

Molecular Properties

Compound Name3-methoxy-4-pyridin-2-ylbenzoic acid;3-(3-methoxy-4-pyridin-2-ylphenyl)imidazo[1,5-a]pyridine;pyridin-2-ylmethanamine
PubChem CID158128492
Molecular FormulaC38H34N6O4
Molecular Weight638.73 g/mol
Exact Mass638.26
IUPAC Name3-methoxy-4-pyridin-2-ylbenzoic acid;3-(3-methoxy-4-pyridin-2-ylphenyl)imidazo[1,5-a]pyridine;pyridin-2-ylmethanamine
SMILESCOc1cc(-c2ncc3ccccn23)ccc1-c1ccccn1.COc1cc(C(=O)O)ccc1-c1ccccn1.NCc1ccccn1
InChIInChI=1S/C19H15N3O.C13H11NO3.C6H8N2/c1-23-18-12-14(8-9-16(18)17-7-2-4-10-20-17)19-21-13-15-6-3-5-11-22(15)19;1-17-12-8-9(13(15)16)5-6-10(12)11-4-2-3-7-14-11;7-5-6-3-1-2-4-8-6/h2-13H,1H3;2-8H,1H3,(H,15,16);1-4H,5,7H2
InChIKeyFSLZSHSLLFWQHV-UHFFFAOYSA-N
XLogP7.07
TPSA137.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.73
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-(8-amino-3-((7R,9aS)-2-isonicotinoyl-4-oxooctahydro-1H-pyrido[1,2-a]pyrazin-7-yl)imidazo[1,5-a]pyrazin-1-yl)-3-methoxy-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 77107252
US10087188, Example 172
CID 121455794
[4-[8-Amino-3-(3-hydroxy-3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-phenylmethanone
CID 57960964
US10087188, Example 135
CID 121455520
US10087188, Example 67
CID 121455525
US10087188, Example 108
CID 121455546
US10087188, Example 66
CID 121455590
US10087188, Example 122
CID 121455732
US10087188, Example 119
CID 121455762
US10087188, Example 149
CID 121455803
US10087188, Example 103
CID 121455815
US10087188, Example 131
CID 121455883

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-pyridin-2-ylbenzoic acid;3-(3-methoxy-4-pyridin-2-ylphenyl)imidazo[1,5-a]pyridine;pyridin-2-ylmethanamine?
The IUPAC name of 3-methoxy-4-pyridin-2-ylbenzoic acid;3-(3-methoxy-4-pyridin-2-ylphenyl)imidazo[1,5-a]pyridine;pyridin-2-ylmethanamine (CID 158128492) is 3-methoxy-4-pyridin-2-ylbenzoic acid;3-(3-methoxy-4-pyridin-2-ylphenyl)imidazo[1,5-a]pyridine;pyridin-2-ylmethanamine.
What is the SMILES notation for 3-methoxy-4-pyridin-2-ylbenzoic acid;3-(3-methoxy-4-pyridin-2-ylphenyl)imidazo[1,5-a]pyridine;pyridin-2-ylmethanamine?
The canonical SMILES for 3-methoxy-4-pyridin-2-ylbenzoic acid;3-(3-methoxy-4-pyridin-2-ylphenyl)imidazo[1,5-a]pyridine;pyridin-2-ylmethanamine is COc1cc(-c2ncc3ccccn23)ccc1-c1ccccn1.COc1cc(C(=O)O)ccc1-c1ccccn1.NCc1ccccn1.
What is the InChIKey of 3-methoxy-4-pyridin-2-ylbenzoic acid;3-(3-methoxy-4-pyridin-2-ylphenyl)imidazo[1,5-a]pyridine;pyridin-2-ylmethanamine?
The InChIKey is FSLZSHSLLFWQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O.C13H11NO3.C6H8N2/c1-23-18-12-14(8-9-16(18)17-7-2-4-10-20-17)19-21-13-15-6-3-5-11-22(15)19;1-17-12-8-9(13(15)16)5-6-10(12)11-4-2-3-7-14-11;7-5-6-3-1-2-4-8-6/h2-13H,1H3;2-8H,1H3,(H,15,16);1-4H,5,7H2.
What are the key properties of 3-methoxy-4-pyridin-2-ylbenzoic acid;3-(3-methoxy-4-pyridin-2-ylphenyl)imidazo[1,5-a]pyridine;pyridin-2-ylmethanamine?
3-methoxy-4-pyridin-2-ylbenzoic acid;3-(3-methoxy-4-pyridin-2-ylphenyl)imidazo[1,5-a]pyridine;pyridin-2-ylmethanamine has a molecular weight of 638.73 g/mol, XLogP of 7.07, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-pyridin-2-ylbenzoic acid;3-(3-methoxy-4-pyridin-2-ylphenyl)imidazo[1,5-a]pyridine;pyridin-2-ylmethanamine is sourced from PubChem (CID 158128492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).