N-(2,3-dihydrofuran-3-ylmethyl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide

C23H18FN3O2 — CID 70955664

IUPACN-(2,3-dihydrofuran-3-ylmethyl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide
SMILESO=C(NCC1C=COC1)c1cc(F)c2n[nH]c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C23H18FN3O2/c24-20-11-18(23(28)25-12-14-7-8-29-13-14)10-19-21(26-27-22(19)20)17-6-5-15-3-1-2-4-16(15)9-17/h1-11,14H,12-13H2,(H,25,28)(H,26,27)
InChIKeyKLIBJSXTNQOYCU-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.41
Rot. Bonds4

About N-(2,3-dihydrofuran-3-ylmethyl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide

N-(2,3-dihydrofuran-3-ylmethyl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide (PubChem CID 70955664) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-(2,3-dihydrofuran-3-ylmethyl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydrofuran-3-ylmethyl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide
PubChem CID70955664
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC NameN-(2,3-dihydrofuran-3-ylmethyl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide
SMILESO=C(NCC1C=COC1)c1cc(F)c2n[nH]c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C23H18FN3O2/c24-20-11-18(23(28)25-12-14-7-8-29-13-14)10-19-21(26-27-22(19)20)17-6-5-15-3-1-2-4-16(15)9-17/h1-11,14H,12-13H2,(H,25,28)(H,26,27)
InChIKeyKLIBJSXTNQOYCU-UHFFFAOYSA-N
XLogP4.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydrofuran-3-ylmethyl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydrofuran-3-ylmethyl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide (CID 70955664) is N-(2,3-dihydrofuran-3-ylmethyl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydrofuran-3-ylmethyl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydrofuran-3-ylmethyl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide is O=C(NCC1C=COC1)c1cc(F)c2n[nH]c(-c3ccc4ccccc4c3)c2c1.
What is the InChIKey of N-(2,3-dihydrofuran-3-ylmethyl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide?
The InChIKey is KLIBJSXTNQOYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c24-20-11-18(23(28)25-12-14-7-8-29-13-14)10-19-21(26-27-22(19)20)17-6-5-15-3-1-2-4-16(15)9-17/h1-11,14H,12-13H2,(H,25,28)(H,26,27).
What are the key properties of N-(2,3-dihydrofuran-3-ylmethyl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide?
N-(2,3-dihydrofuran-3-ylmethyl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydrofuran-3-ylmethyl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide is sourced from PubChem (CID 70955664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).