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

C26H28FN3O4 — CID 122574082

IUPAC[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]methanone
SMILESCC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)C4(O)CCC4)CC3)oc12
InChIInChI=1S/C26H28FN3O4/c1-16(2)19-14-20(17-4-6-18(27)7-5-17)28-21-15-22(34-23(19)21)24(31)29-10-12-30(13-11-29)25(32)26(33)8-3-9-26/h4-7,14-16,33H,3,8-13H2,1-2H3
InChIKeyCESVWLBSJKDNLV-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.96
Rot. Bonds4

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

[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]methanone (PubChem CID 122574082) has the molecular formula C26H28FN3O4 and a molecular weight of 465.53 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]methanone
PubChem CID122574082
Molecular FormulaC26H28FN3O4
Molecular Weight465.53 g/mol
Exact Mass465.21
IUPAC Name[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]methanone
SMILESCC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)C4(O)CCC4)CC3)oc12
InChIInChI=1S/C26H28FN3O4/c1-16(2)19-14-20(17-4-6-18(27)7-5-17)28-21-15-22(34-23(19)21)24(31)29-10-12-30(13-11-29)25(32)26(33)8-3-9-26/h4-7,14-16,33H,3,8-13H2,1-2H3
InChIKeyCESVWLBSJKDNLV-UHFFFAOYSA-N
XLogP3.96
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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)piperazin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]methanone (CID 122574082) is [5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)piperazin-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)piperazin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]methanone is CC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)C4(O)CCC4)CC3)oc12.
What is the InChIKey of [5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]methanone?
The InChIKey is CESVWLBSJKDNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O4/c1-16(2)19-14-20(17-4-6-18(27)7-5-17)28-21-15-22(34-23(19)21)24(31)29-10-12-30(13-11-29)25(32)26(33)8-3-9-26/h4-7,14-16,33H,3,8-13H2,1-2H3.
What are the key properties of [5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]methanone?
[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]methanone has a molecular weight of 465.53 g/mol, XLogP of 3.96, 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)piperazin-1-yl]methanone is sourced from PubChem (CID 122574082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).