(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate

C16H11BrN4O3 — CID 166191898

IUPAC(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
SMILESO=C(OCc1cn2cc(Br)ccc2n1)c1cc(-c2ccco2)n[nH]1
InChIInChI=1S/C16H11BrN4O3/c17-10-3-4-15-18-11(8-21(15)7-10)9-24-16(22)13-6-12(19-20-13)14-2-1-5-23-14/h1-8H,9H2,(H,19,20)
InChIKeyDNKPYZWXJLENHX-UHFFFAOYSA-N
MW387.19 g/mol
LogP3.44
Rot. Bonds4

About (6-bromoimidazo[1,2-a]pyridin-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate

(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate (PubChem CID 166191898) has the molecular formula C16H11BrN4O3 and a molecular weight of 387.19 g/mol. Its IUPAC name is (6-bromoimidazo[1,2-a]pyridin-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Name(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
PubChem CID166191898
Molecular FormulaC16H11BrN4O3
Molecular Weight387.19 g/mol
Exact Mass386.00
IUPAC Name(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
SMILESO=C(OCc1cn2cc(Br)ccc2n1)c1cc(-c2ccco2)n[nH]1
InChIInChI=1S/C16H11BrN4O3/c17-10-3-4-15-18-11(8-21(15)7-10)9-24-16(22)13-6-12(19-20-13)14-2-1-5-23-14/h1-8H,9H2,(H,19,20)
InChIKeyDNKPYZWXJLENHX-UHFFFAOYSA-N
XLogP3.44
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.19
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-bromoimidazo[1,2-a]pyridin-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate?
The IUPAC name of (6-bromoimidazo[1,2-a]pyridin-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate (CID 166191898) is (6-bromoimidazo[1,2-a]pyridin-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for (6-bromoimidazo[1,2-a]pyridin-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for (6-bromoimidazo[1,2-a]pyridin-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate is O=C(OCc1cn2cc(Br)ccc2n1)c1cc(-c2ccco2)n[nH]1.
What is the InChIKey of (6-bromoimidazo[1,2-a]pyridin-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate?
The InChIKey is DNKPYZWXJLENHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4O3/c17-10-3-4-15-18-11(8-21(15)7-10)9-24-16(22)13-6-12(19-20-13)14-2-1-5-23-14/h1-8H,9H2,(H,19,20).
What are the key properties of (6-bromoimidazo[1,2-a]pyridin-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate?
(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate has a molecular weight of 387.19 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromoimidazo[1,2-a]pyridin-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 166191898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).