3,4-dihydro-2H-chromen-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid

C24H25N3O5 — CID 171322513

IUPAC3,4-dihydro-2H-chromen-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
SMILESCOc1cccc(C2CN(C(=O)c3ccc4c(c3)CCCO4)Cc3[nH]cnc32)c1.O=CO
InChIInChI=1S/C23H23N3O3.CH2O2/c1-28-18-6-2-4-15(11-18)19-12-26(13-20-22(19)25-14-24-20)23(27)17-7-8-21-16(10-17)5-3-9-29-21;2-1-3/h2,4,6-8,10-11,14,19H,3,5,9,12-13H2,1H3,(H,24,25);1H,(H,2,3)
InChIKeyRWFMSQNODDNUEA-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.23
Rot. Bonds3

About 3,4-dihydro-2H-chromen-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid

3,4-dihydro-2H-chromen-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid (PubChem CID 171322513) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
PubChem CID171322513
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name3,4-dihydro-2H-chromen-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
SMILESCOc1cccc(C2CN(C(=O)c3ccc4c(c3)CCCO4)Cc3[nH]cnc32)c1.O=CO
InChIInChI=1S/C23H23N3O3.CH2O2/c1-28-18-6-2-4-15(11-18)19-12-26(13-20-22(19)25-14-24-20)23(27)17-7-8-21-16(10-17)5-3-9-29-21;2-1-3/h2,4,6-8,10-11,14,19H,3,5,9,12-13H2,1H3,(H,24,25);1H,(H,2,3)
InChIKeyRWFMSQNODDNUEA-UHFFFAOYSA-N
XLogP3.23
TPSA104.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-dihydro-2-benzofuran-4-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
CID 166598641
1H-indol-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 164692468
formic acid;3-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one
CID 171322404
(2-ethyl-5-methylpyrazol-3-yl)-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
CID 166598227
2-(2,6-dimethyl-4-pyridinyl)-1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone;formic acid
CID 166598211
formic acid;3-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile
CID 166599653
1H-indol-2-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 164695772
[4-(hydroxymethyl)-2-pyridinyl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 165417713
[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone
CID 164694408
[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxy-4-pyridinyl)methanone
CID 164700123
2-(3,5-dimethylpyrazol-1-yl)-1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 165419182
[3-(difluoromethoxy)phenyl]-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 164696159

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid (CID 171322513) is 3,4-dihydro-2H-chromen-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid is COc1cccc(C2CN(C(=O)c3ccc4c(c3)CCCO4)Cc3[nH]cnc32)c1.O=CO.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid?
The InChIKey is RWFMSQNODDNUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3.CH2O2/c1-28-18-6-2-4-15(11-18)19-12-26(13-20-22(19)25-14-24-20)23(27)17-7-8-21-16(10-17)5-3-9-29-21;2-1-3/h2,4,6-8,10-11,14,19H,3,5,9,12-13H2,1H3,(H,24,25);1H,(H,2,3).
What are the key properties of 3,4-dihydro-2H-chromen-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid?
3,4-dihydro-2H-chromen-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid has a molecular weight of 435.48 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid is sourced from PubChem (CID 171322513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).