(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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Related Compounds

3-bromo-5-(furan-2-yl)-N-[3-(1H-imidazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3660026
2-chloro-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 57680786
5-(furan-2-yl)-N-(2-methylimidazo[1,2-a]pyrazin-3-yl)-1H-pyrazole-3-carboxamide
CID 172471162
5-(furan-2-yl)-N-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)-1H-pyrazole-3-carboxamide
CID 172471350
2-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 155899654
3-(furan-2-yl)-N-((8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)-1H-pyrazole-5-carboxamide
CID 91632823
2-(3-methylimidazol-4-yl)ethyl 3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylate;2,2,2-trifluoroacetic acid
CID 166189472
3-{5-[1-(2-furylmethyl)-1H-imidazol-2-yl]-2-furyl}-1H-pyrazole
CID 56743515
3-[1-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propan-2-yloxy]pyridine
CID 56873733
(3-(furan-2-yl)-1H-pyrazol-5-yl)(4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl)methanone
CID 71802145
3-(furan-2-yl)-N-(3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl)-1H-pyrazole-5-carboxamide
CID 76149256
(3-(furan-2-yl)-1H-pyrazol-5-yl)(4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl)methanone
CID 91818598

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).