N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide

C20H14N6O2 — CID 22479942

IUPACN-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)c1ccco1
InChIInChI=1S/C20H14N6O2/c27-20(17-5-2-8-28-17)23-14-4-1-3-12(9-14)18-15-10-13(19-21-11-22-26-19)6-7-16(15)24-25-18/h1-11H,(H,23,27)(H,24,25)(H,21,22,26)
InChIKeyLMDMJDCLPIVGQD-UHFFFAOYSA-N
MW370.37 g/mol
LogP3.86
Rot. Bonds4

About N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide

N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide (PubChem CID 22479942) has the molecular formula C20H14N6O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide
PubChem CID22479942
Molecular FormulaC20H14N6O2
Molecular Weight370.37 g/mol
Exact Mass370.12
IUPAC NameN-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)c1ccco1
InChIInChI=1S/C20H14N6O2/c27-20(17-5-2-8-28-17)23-14-4-1-3-12(9-14)18-15-10-13(19-21-11-22-26-19)6-7-16(15)24-25-18/h1-11H,(H,23,27)(H,24,25)(H,21,22,26)
InChIKeyLMDMJDCLPIVGQD-UHFFFAOYSA-N
XLogP3.86
TPSA112.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide (CID 22479942) is N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide is O=C(Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)c1ccco1.
What is the InChIKey of N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide?
The InChIKey is LMDMJDCLPIVGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O2/c27-20(17-5-2-8-28-17)23-14-4-1-3-12(9-14)18-15-10-13(19-21-11-22-26-19)6-7-16(15)24-25-18/h1-11H,(H,23,27)(H,24,25)(H,21,22,26).
What are the key properties of N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide?
N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide has a molecular weight of 370.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 22479942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).