N-[3-(furan-3-yl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide

C20H15N5O2 — CID 155134599

IUPACN-[3-(furan-3-yl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide
SMILESCn1ncc2cc(C(=O)Nc3ccc4[nH]nc(-c5ccoc5)c4c3)ccc21
InChIInChI=1S/C20H15N5O2/c1-25-18-5-2-12(8-14(18)10-21-25)20(26)22-15-3-4-17-16(9-15)19(24-23-17)13-6-7-27-11-13/h2-11H,1H3,(H,22,26)(H,23,24)
InChIKeyCNTLHMWSXPLZHV-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.96
Rot. Bonds3

About N-[3-(furan-3-yl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide

N-[3-(furan-3-yl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide (PubChem CID 155134599) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[3-(furan-3-yl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-3-yl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide
PubChem CID155134599
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC NameN-[3-(furan-3-yl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide
SMILESCn1ncc2cc(C(=O)Nc3ccc4[nH]nc(-c5ccoc5)c4c3)ccc21
InChIInChI=1S/C20H15N5O2/c1-25-18-5-2-12(8-14(18)10-21-25)20(26)22-15-3-4-17-16(9-15)19(24-23-17)13-6-7-27-11-13/h2-11H,1H3,(H,22,26)(H,23,24)
InChIKeyCNTLHMWSXPLZHV-UHFFFAOYSA-N
XLogP3.96
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-3-yl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide?
The IUPAC name of N-[3-(furan-3-yl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide (CID 155134599) is N-[3-(furan-3-yl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide.
What is the SMILES notation for N-[3-(furan-3-yl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide?
The canonical SMILES for N-[3-(furan-3-yl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide is Cn1ncc2cc(C(=O)Nc3ccc4[nH]nc(-c5ccoc5)c4c3)ccc21.
What is the InChIKey of N-[3-(furan-3-yl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide?
The InChIKey is CNTLHMWSXPLZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-25-18-5-2-12(8-14(18)10-21-25)20(26)22-15-3-4-17-16(9-15)19(24-23-17)13-6-7-27-11-13/h2-11H,1H3,(H,22,26)(H,23,24).
What are the key properties of N-[3-(furan-3-yl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide?
N-[3-(furan-3-yl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-3-yl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide is sourced from PubChem (CID 155134599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).