[3-amino-6-(4-methoxyphenyl)-4-pyridin-3-ylfuro[2,3-b]pyridin-2-yl]-(4-chlorophenyl)methanone

C26H18ClN3O3 — CID 2816062

IUPAC[3-amino-6-(4-methoxyphenyl)-4-pyridin-3-ylfuro[2,3-b]pyridin-2-yl]-(4-chlorophenyl)methanone
SMILESCOc1ccc(-c2cc(-c3cccnc3)c3c(N)c(C(=O)c4ccc(Cl)cc4)oc3n2)cc1
InChIInChI=1S/C26H18ClN3O3/c1-32-19-10-6-15(7-11-19)21-13-20(17-3-2-12-29-14-17)22-23(28)25(33-26(22)30-21)24(31)16-4-8-18(27)9-5-16/h2-14H,28H2,1H3
InChIKeyIFFHQCDYJSHRBA-UHFFFAOYSA-N
MW455.90 g/mol
LogP6.03
Rot. Bonds5

About [3-amino-6-(4-methoxyphenyl)-4-pyridin-3-ylfuro[2,3-b]pyridin-2-yl]-(4-chlorophenyl)methanone

[3-amino-6-(4-methoxyphenyl)-4-pyridin-3-ylfuro[2,3-b]pyridin-2-yl]-(4-chlorophenyl)methanone (PubChem CID 2816062) has the molecular formula C26H18ClN3O3 and a molecular weight of 455.90 g/mol. Its IUPAC name is [3-amino-6-(4-methoxyphenyl)-4-pyridin-3-ylfuro[2,3-b]pyridin-2-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[3-amino-6-(4-methoxyphenyl)-4-pyridin-3-ylfuro[2,3-b]pyridin-2-yl]-(4-chlorophenyl)methanone
PubChem CID2816062
Molecular FormulaC26H18ClN3O3
Molecular Weight455.90 g/mol
Exact Mass455.10
IUPAC Name[3-amino-6-(4-methoxyphenyl)-4-pyridin-3-ylfuro[2,3-b]pyridin-2-yl]-(4-chlorophenyl)methanone
SMILESCOc1ccc(-c2cc(-c3cccnc3)c3c(N)c(C(=O)c4ccc(Cl)cc4)oc3n2)cc1
InChIInChI=1S/C26H18ClN3O3/c1-32-19-10-6-15(7-11-19)21-13-20(17-3-2-12-29-14-17)22-23(28)25(33-26(22)30-21)24(31)16-4-8-18(27)9-5-16/h2-14H,28H2,1H3
InChIKeyIFFHQCDYJSHRBA-UHFFFAOYSA-N
XLogP6.03
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.90
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(4-methoxyphenyl)-4-pyridin-3-ylfuro[2,3-b]pyridin-2-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [3-amino-6-(4-methoxyphenyl)-4-pyridin-3-ylfuro[2,3-b]pyridin-2-yl]-(4-chlorophenyl)methanone (CID 2816062) is [3-amino-6-(4-methoxyphenyl)-4-pyridin-3-ylfuro[2,3-b]pyridin-2-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [3-amino-6-(4-methoxyphenyl)-4-pyridin-3-ylfuro[2,3-b]pyridin-2-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [3-amino-6-(4-methoxyphenyl)-4-pyridin-3-ylfuro[2,3-b]pyridin-2-yl]-(4-chlorophenyl)methanone is COc1ccc(-c2cc(-c3cccnc3)c3c(N)c(C(=O)c4ccc(Cl)cc4)oc3n2)cc1.
What is the InChIKey of [3-amino-6-(4-methoxyphenyl)-4-pyridin-3-ylfuro[2,3-b]pyridin-2-yl]-(4-chlorophenyl)methanone?
The InChIKey is IFFHQCDYJSHRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN3O3/c1-32-19-10-6-15(7-11-19)21-13-20(17-3-2-12-29-14-17)22-23(28)25(33-26(22)30-21)24(31)16-4-8-18(27)9-5-16/h2-14H,28H2,1H3.
What are the key properties of [3-amino-6-(4-methoxyphenyl)-4-pyridin-3-ylfuro[2,3-b]pyridin-2-yl]-(4-chlorophenyl)methanone?
[3-amino-6-(4-methoxyphenyl)-4-pyridin-3-ylfuro[2,3-b]pyridin-2-yl]-(4-chlorophenyl)methanone has a molecular weight of 455.90 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(4-methoxyphenyl)-4-pyridin-3-ylfuro[2,3-b]pyridin-2-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 2816062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).