4-fluoro-N-[5-(4-methylpiperazine-1-carbonyl)-1H-furo[3,2-c]pyrazol-3-yl]benzamide

C18H18FN5O3 — CID 11847512

IUPAC4-fluoro-N-[5-(4-methylpiperazine-1-carbonyl)-1H-furo[3,2-c]pyrazol-3-yl]benzamide
SMILESCN1CCN(C(=O)c2cc3[nH]nc(NC(=O)c4ccc(F)cc4)c3o2)CC1
InChIInChI=1S/C18H18FN5O3/c1-23-6-8-24(9-7-23)18(26)14-10-13-15(27-14)16(22-21-13)20-17(25)11-2-4-12(19)5-3-11/h2-5,10H,6-9H2,1H3,(H2,20,21,22,25)
InChIKeyODDPPQMZMKGQIX-UHFFFAOYSA-N
MW371.37 g/mol
LogP1.93
Rot. Bonds3

About 4-fluoro-N-[5-(4-methylpiperazine-1-carbonyl)-1H-furo[3,2-c]pyrazol-3-yl]benzamide

4-fluoro-N-[5-(4-methylpiperazine-1-carbonyl)-1H-furo[3,2-c]pyrazol-3-yl]benzamide (PubChem CID 11847512) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is 4-fluoro-N-[5-(4-methylpiperazine-1-carbonyl)-1H-furo[3,2-c]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-(4-methylpiperazine-1-carbonyl)-1H-furo[3,2-c]pyrazol-3-yl]benzamide
PubChem CID11847512
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Name4-fluoro-N-[5-(4-methylpiperazine-1-carbonyl)-1H-furo[3,2-c]pyrazol-3-yl]benzamide
SMILESCN1CCN(C(=O)c2cc3[nH]nc(NC(=O)c4ccc(F)cc4)c3o2)CC1
InChIInChI=1S/C18H18FN5O3/c1-23-6-8-24(9-7-23)18(26)14-10-13-15(27-14)16(22-21-13)20-17(25)11-2-4-12(19)5-3-11/h2-5,10H,6-9H2,1H3,(H2,20,21,22,25)
InChIKeyODDPPQMZMKGQIX-UHFFFAOYSA-N
XLogP1.93
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(4-methylpiperazine-1-carbonyl)-1H-furo[3,2-c]pyrazol-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[5-(4-methylpiperazine-1-carbonyl)-1H-furo[3,2-c]pyrazol-3-yl]benzamide (CID 11847512) is 4-fluoro-N-[5-(4-methylpiperazine-1-carbonyl)-1H-furo[3,2-c]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-(4-methylpiperazine-1-carbonyl)-1H-furo[3,2-c]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-(4-methylpiperazine-1-carbonyl)-1H-furo[3,2-c]pyrazol-3-yl]benzamide is CN1CCN(C(=O)c2cc3[nH]nc(NC(=O)c4ccc(F)cc4)c3o2)CC1.
What is the InChIKey of 4-fluoro-N-[5-(4-methylpiperazine-1-carbonyl)-1H-furo[3,2-c]pyrazol-3-yl]benzamide?
The InChIKey is ODDPPQMZMKGQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3/c1-23-6-8-24(9-7-23)18(26)14-10-13-15(27-14)16(22-21-13)20-17(25)11-2-4-12(19)5-3-11/h2-5,10H,6-9H2,1H3,(H2,20,21,22,25).
What are the key properties of 4-fluoro-N-[5-(4-methylpiperazine-1-carbonyl)-1H-furo[3,2-c]pyrazol-3-yl]benzamide?
4-fluoro-N-[5-(4-methylpiperazine-1-carbonyl)-1H-furo[3,2-c]pyrazol-3-yl]benzamide has a molecular weight of 371.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-(4-methylpiperazine-1-carbonyl)-1H-furo[3,2-c]pyrazol-3-yl]benzamide is sourced from PubChem (CID 11847512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).