[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(furan-2-yl)methanone

C25H23N3O4 — CID 155524996

IUPAC[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(furan-2-yl)methanone
SMILESCOc1ccc(-c2cn3cc(C4=CCN(C(=O)c5ccco5)CC4)ccc3n2)cc1OC
InChIInChI=1S/C25H23N3O4/c1-30-21-7-5-18(14-23(21)31-2)20-16-28-15-19(6-8-24(28)26-20)17-9-11-27(12-10-17)25(29)22-4-3-13-32-22/h3-9,13-16H,10-12H2,1-2H3
InChIKeyTVSIDNYMTPIWDH-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.54
Rot. Bonds5

About [4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(furan-2-yl)methanone

[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(furan-2-yl)methanone (PubChem CID 155524996) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is [4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(furan-2-yl)methanone
PubChem CID155524996
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(furan-2-yl)methanone
SMILESCOc1ccc(-c2cn3cc(C4=CCN(C(=O)c5ccco5)CC4)ccc3n2)cc1OC
InChIInChI=1S/C25H23N3O4/c1-30-21-7-5-18(14-23(21)31-2)20-16-28-15-19(6-8-24(28)26-20)17-9-11-27(12-10-17)25(29)22-4-3-13-32-22/h3-9,13-16H,10-12H2,1-2H3
InChIKeyTVSIDNYMTPIWDH-UHFFFAOYSA-N
XLogP4.54
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(furan-2-yl)methanone (CID 155524996) is [4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(furan-2-yl)methanone is COc1ccc(-c2cn3cc(C4=CCN(C(=O)c5ccco5)CC4)ccc3n2)cc1OC.
What is the InChIKey of [4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(furan-2-yl)methanone?
The InChIKey is TVSIDNYMTPIWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-30-21-7-5-18(14-23(21)31-2)20-16-28-15-19(6-8-24(28)26-20)17-9-11-27(12-10-17)25(29)22-4-3-13-32-22/h3-9,13-16H,10-12H2,1-2H3.
What are the key properties of [4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(furan-2-yl)methanone?
[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(furan-2-yl)methanone has a molecular weight of 429.48 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 155524996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).