N-cyclopropyl-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide

C20H18FN3O2 — CID 135987934

IUPACN-cyclopropyl-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccccc3F)c12
InChIInChI=1S/C20H18FN3O2/c1-26-19-14(20(25)22-13-7-8-13)9-11-17-18(19)16(23-24-17)10-6-12-4-2-3-5-15(12)21/h2-6,9-11,13H,7-8H2,1H3,(H,22,25)(H,23,24)/b10-6+
InChIKeyYCZNJLWAPGUCHA-UXBLZVDNSA-N
MW351.38 g/mol
LogP3.77
Rot. Bonds5

About N-cyclopropyl-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide

N-cyclopropyl-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide (PubChem CID 135987934) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-cyclopropyl-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
PubChem CID135987934
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-cyclopropyl-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccccc3F)c12
InChIInChI=1S/C20H18FN3O2/c1-26-19-14(20(25)22-13-7-8-13)9-11-17-18(19)16(23-24-17)10-6-12-4-2-3-5-15(12)21/h2-6,9-11,13H,7-8H2,1H3,(H,22,25)(H,23,24)/b10-6+
InChIKeyYCZNJLWAPGUCHA-UXBLZVDNSA-N
XLogP3.77
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide (CID 135987934) is N-cyclopropyl-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide is COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccccc3F)c12.
What is the InChIKey of N-cyclopropyl-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide?
The InChIKey is YCZNJLWAPGUCHA-UXBLZVDNSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-26-19-14(20(25)22-13-7-8-13)9-11-17-18(19)16(23-24-17)10-6-12-4-2-3-5-15(12)21/h2-6,9-11,13H,7-8H2,1H3,(H,22,25)(H,23,24)/b10-6+.
What are the key properties of N-cyclopropyl-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide?
N-cyclopropyl-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide is sourced from PubChem (CID 135987934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).