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

C24H25N3O3 — CID 155513128

IUPACcyclopropyl-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOc1ccc(-c2cn3cc(C4=CCN(C(=O)C5CC5)CC4)ccc3n2)cc1OC
InChIInChI=1S/C24H25N3O3/c1-29-21-7-5-18(13-22(21)30-2)20-15-27-14-19(6-8-23(27)25-20)16-9-11-26(12-10-16)24(28)17-3-4-17/h5-9,13-15,17H,3-4,10-12H2,1-2H3
InChIKeyQOCBKQSMYQQLSS-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.04
Rot. Bonds5

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

cyclopropyl-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 155513128) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is cyclopropyl-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID155513128
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Namecyclopropyl-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOc1ccc(-c2cn3cc(C4=CCN(C(=O)C5CC5)CC4)ccc3n2)cc1OC
InChIInChI=1S/C24H25N3O3/c1-29-21-7-5-18(13-22(21)30-2)20-15-27-14-19(6-8-23(27)25-20)16-9-11-26(12-10-16)24(28)17-3-4-17/h5-9,13-15,17H,3-4,10-12H2,1-2H3
InChIKeyQOCBKQSMYQQLSS-UHFFFAOYSA-N
XLogP4.04
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 155513128) is cyclopropyl-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone is COc1ccc(-c2cn3cc(C4=CCN(C(=O)C5CC5)CC4)ccc3n2)cc1OC.
What is the InChIKey of cyclopropyl-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is QOCBKQSMYQQLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-29-21-7-5-18(13-22(21)30-2)20-15-27-14-19(6-8-23(27)25-20)16-9-11-26(12-10-16)24(28)17-3-4-17/h5-9,13-15,17H,3-4,10-12H2,1-2H3.
What are the key properties of cyclopropyl-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
cyclopropyl-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 403.48 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 155513128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).