(3Z)-5-fluoro-3-[2-[3-(4-methylpiperazin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one

C23H25FN4O2 — CID 67315204

IUPAC(3Z)-5-fluoro-3-[2-[3-(4-methylpiperazin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
SMILESCN1CCN(CCCc2ccc3c(n2)CO/C3=C2\C(=O)Nc3ccc(F)cc32)CC1
InChIInChI=1S/C23H25FN4O2/c1-27-9-11-28(12-10-27)8-2-3-16-5-6-17-20(25-16)14-30-22(17)21-18-13-15(24)4-7-19(18)26-23(21)29/h4-7,13H,2-3,8-12,14H2,1H3,(H,26,29)/b22-21-
InChIKeyAHEFHFGBDRDLGW-DQRAZIAOSA-N
MW408.48 g/mol
LogP2.75
Rot. Bonds4

About (3Z)-5-fluoro-3-[2-[3-(4-methylpiperazin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one

(3Z)-5-fluoro-3-[2-[3-(4-methylpiperazin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one (PubChem CID 67315204) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is (3Z)-5-fluoro-3-[2-[3-(4-methylpiperazin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-fluoro-3-[2-[3-(4-methylpiperazin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
PubChem CID67315204
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name(3Z)-5-fluoro-3-[2-[3-(4-methylpiperazin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
SMILESCN1CCN(CCCc2ccc3c(n2)CO/C3=C2\C(=O)Nc3ccc(F)cc32)CC1
InChIInChI=1S/C23H25FN4O2/c1-27-9-11-28(12-10-27)8-2-3-16-5-6-17-20(25-16)14-30-22(17)21-18-13-15(24)4-7-19(18)26-23(21)29/h4-7,13H,2-3,8-12,14H2,1H3,(H,26,29)/b22-21-
InChIKeyAHEFHFGBDRDLGW-DQRAZIAOSA-N
XLogP2.75
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-fluoro-3-[2-[3-(4-methylpiperazin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-fluoro-3-[2-[3-(4-methylpiperazin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one (CID 67315204) is (3Z)-5-fluoro-3-[2-[3-(4-methylpiperazin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-fluoro-3-[2-[3-(4-methylpiperazin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-fluoro-3-[2-[3-(4-methylpiperazin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one is CN1CCN(CCCc2ccc3c(n2)CO/C3=C2\C(=O)Nc3ccc(F)cc32)CC1.
What is the InChIKey of (3Z)-5-fluoro-3-[2-[3-(4-methylpiperazin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one?
The InChIKey is AHEFHFGBDRDLGW-DQRAZIAOSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-27-9-11-28(12-10-27)8-2-3-16-5-6-17-20(25-16)14-30-22(17)21-18-13-15(24)4-7-19(18)26-23(21)29/h4-7,13H,2-3,8-12,14H2,1H3,(H,26,29)/b22-21-.
What are the key properties of (3Z)-5-fluoro-3-[2-[3-(4-methylpiperazin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one?
(3Z)-5-fluoro-3-[2-[3-(4-methylpiperazin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one has a molecular weight of 408.48 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluoro-3-[2-[3-(4-methylpiperazin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one is sourced from PubChem (CID 67315204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).