[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone

C28H32FN3O4 — CID 122573954

IUPAC[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone
SMILESCC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)C4(O)CCC4)CC3(C)C)oc12
InChIInChI=1S/C28H32FN3O4/c1-17(2)20-14-21(18-6-8-19(29)9-7-18)30-22-15-23(36-24(20)22)25(33)32-13-12-31(16-27(32,3)4)26(34)28(35)10-5-11-28/h6-9,14-15,17,35H,5,10-13,16H2,1-4H3
InChIKeyMHXHMJPDJXWRDN-UHFFFAOYSA-N
MW493.58 g/mol
LogP4.74
Rot. Bonds4

About [5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone

[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone (PubChem CID 122573954) has the molecular formula C28H32FN3O4 and a molecular weight of 493.58 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone
PubChem CID122573954
Molecular FormulaC28H32FN3O4
Molecular Weight493.58 g/mol
Exact Mass493.24
IUPAC Name[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone
SMILESCC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)C4(O)CCC4)CC3(C)C)oc12
InChIInChI=1S/C28H32FN3O4/c1-17(2)20-14-21(18-6-8-19(29)9-7-18)30-22-15-23(36-24(20)22)25(33)32-13-12-31(16-27(32,3)4)26(34)28(35)10-5-11-28/h6-9,14-15,17,35H,5,10-13,16H2,1-4H3
InChIKeyMHXHMJPDJXWRDN-UHFFFAOYSA-N
XLogP4.74
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone (CID 122573954) is [5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone is CC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)C4(O)CCC4)CC3(C)C)oc12.
What is the InChIKey of [5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone?
The InChIKey is MHXHMJPDJXWRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O4/c1-17(2)20-14-21(18-6-8-19(29)9-7-18)30-22-15-23(36-24(20)22)25(33)32-13-12-31(16-27(32,3)4)26(34)28(35)10-5-11-28/h6-9,14-15,17,35H,5,10-13,16H2,1-4H3.
What are the key properties of [5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone?
[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone has a molecular weight of 493.58 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone is sourced from PubChem (CID 122573954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).