[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

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

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Related Compounds

N-[2-(5-methoxy-2-phenylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 127042142
N-[2-[2-(4-fluorophenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide
CID 127042442
Ethyl 1-[(4-methylfuro[3,2-c]quinolin-2-yl)carbonyl]piperidine-3-carboxylate
CID 3243902
N-[2-(dipropylamino)ethyl]-4-methyl-2-furo[3,2-c]quinolinecarboxamide
CID 3245118
N-{2-[butyl(ethyl)amino]ethyl}-4-methylfuro[3,2-c]quinoline-2-carboxamide
CID 5307307
4-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]furo[3,2-c]quinoline-2-carboxamide
CID 5307409
(4-Cyclohexylpiperazin-1-yl)-(4-methylfuro[3,2-c]quinolin-2-yl)methanone
CID 5307470
2-{[4-(2-Furoyl)piperazin-1-yl]carbonyl}-4-methylfuro[3,2-c]quinoline
CID 5307657
4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]furo[3,2-c]quinoline-2-carboxamide
CID 5308345
3,4-dihydro-1H-isoquinolin-2-yl-(4-methylfuro[3,2-c]quinolin-2-yl)methanone
CID 5309080
(4-Methylfuro[3,2-c]quinolin-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 5309287
[4-(4-Methoxyphenyl)piperazin-1-yl]-(4-methylfuro[3,2-c]quinolin-2-yl)methanone
CID 20868555

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).