3-bromo-5-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]pyridine-2-carboxamide

C18H10BrN5O2 — CID 155482100

IUPAC3-bromo-5-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc3[nH]nc(-c4ccoc4)c3c2)c(Br)c1
InChIInChI=1S/C18H10BrN5O2/c19-14-5-10(7-20)8-21-17(14)18(25)22-12-1-2-15-13(6-12)16(24-23-15)11-3-4-26-9-11/h1-6,8-9H,(H,22,25)(H,23,24)
InChIKeyUCRHOBNCAGRKRD-UHFFFAOYSA-N
MW408.22 g/mol
LogP4.10
Rot. Bonds3

About 3-bromo-5-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]pyridine-2-carboxamide

3-bromo-5-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]pyridine-2-carboxamide (PubChem CID 155482100) has the molecular formula C18H10BrN5O2 and a molecular weight of 408.22 g/mol. Its IUPAC name is 3-bromo-5-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-5-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
PubChem CID155482100
Molecular FormulaC18H10BrN5O2
Molecular Weight408.22 g/mol
Exact Mass407.00
IUPAC Name3-bromo-5-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc3[nH]nc(-c4ccoc4)c3c2)c(Br)c1
InChIInChI=1S/C18H10BrN5O2/c19-14-5-10(7-20)8-21-17(14)18(25)22-12-1-2-15-13(6-12)16(24-23-15)11-3-4-26-9-11/h1-6,8-9H,(H,22,25)(H,23,24)
InChIKeyUCRHOBNCAGRKRD-UHFFFAOYSA-N
XLogP4.10
TPSA107.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.22
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-5-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]pyridine-2-carboxamide (CID 155482100) is 3-bromo-5-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-5-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-5-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]pyridine-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc3[nH]nc(-c4ccoc4)c3c2)c(Br)c1.
What is the InChIKey of 3-bromo-5-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is UCRHOBNCAGRKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrN5O2/c19-14-5-10(7-20)8-21-17(14)18(25)22-12-1-2-15-13(6-12)16(24-23-15)11-3-4-26-9-11/h1-6,8-9H,(H,22,25)(H,23,24).
What are the key properties of 3-bromo-5-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]pyridine-2-carboxamide?
3-bromo-5-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 408.22 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155482100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).