N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide

C19H18BrN3O2 — CID 86957326

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
SMILESO=C(CC1OCCc2ccccc21)NCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C19H18BrN3O2/c20-14-5-6-18-22-15(12-23(18)11-14)10-21-19(24)9-17-16-4-2-1-3-13(16)7-8-25-17/h1-6,11-12,17H,7-10H2,(H,21,24)
InChIKeyNCZXEUUOZICBCA-UHFFFAOYSA-N
MW400.28 g/mol
LogP3.42
Rot. Bonds4

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide (PubChem CID 86957326) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
PubChem CID86957326
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
SMILESO=C(CC1OCCc2ccccc21)NCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C19H18BrN3O2/c20-14-5-6-18-22-15(12-23(18)11-14)10-21-19(24)9-17-16-4-2-1-3-13(16)7-8-25-17/h1-6,11-12,17H,7-10H2,(H,21,24)
InChIKeyNCZXEUUOZICBCA-UHFFFAOYSA-N
XLogP3.42
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 99167409
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pentanamide
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CID 97082428
2-(3,4-dihydro-1H-isochromen-1-yl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120826800
methyl 2-[6-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]amino]-2-pyridinyl]acetate
CID 129400445
2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(6-phenoxy-3-pyridinyl)methyl]acetamide
CID 75371773
3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide (CID 86957326) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide is O=C(CC1OCCc2ccccc21)NCc1cn2cc(Br)ccc2n1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide?
The InChIKey is NCZXEUUOZICBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c20-14-5-6-18-22-15(12-23(18)11-14)10-21-19(24)9-17-16-4-2-1-3-13(16)7-8-25-17/h1-6,11-12,17H,7-10H2,(H,21,24).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide has a molecular weight of 400.28 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide is sourced from PubChem (CID 86957326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).