N-(4-indazol-1-ylphenyl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine-2-carboxamide

C25H20N4O2 — CID 154874337

IUPACN-(4-indazol-1-ylphenyl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-n2ncc3ccccc32)cc1)N1CCc2oc3ccccc3c2C1
InChIInChI=1S/C25H20N4O2/c30-25(28-14-13-24-21(16-28)20-6-2-4-8-23(20)31-24)27-18-9-11-19(12-10-18)29-22-7-3-1-5-17(22)15-26-29/h1-12,15H,13-14,16H2,(H,27,30)
InChIKeyAUTVBHOHCFJULS-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.36
Rot. Bonds2

About N-(4-indazol-1-ylphenyl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine-2-carboxamide

N-(4-indazol-1-ylphenyl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine-2-carboxamide (PubChem CID 154874337) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(4-indazol-1-ylphenyl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-indazol-1-ylphenyl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine-2-carboxamide
PubChem CID154874337
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC NameN-(4-indazol-1-ylphenyl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-n2ncc3ccccc32)cc1)N1CCc2oc3ccccc3c2C1
InChIInChI=1S/C25H20N4O2/c30-25(28-14-13-24-21(16-28)20-6-2-4-8-23(20)31-24)27-18-9-11-19(12-10-18)29-22-7-3-1-5-17(22)15-26-29/h1-12,15H,13-14,16H2,(H,27,30)
InChIKeyAUTVBHOHCFJULS-UHFFFAOYSA-N
XLogP5.36
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-indazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122088823
N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)pyrrolidine-1-carboxamide
CID 24896972
N-(4-indazol-1-ylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 75444619
5-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
CID 42695075
1-(4-indazol-1-ylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 75454932
N-(6,7,8,9,10,11-hexahydrocycloocta[b][1]benzofuran-2-yl)morpholine-4-carboxamide
CID 24898077
tert-butyl 4-[(4-indazol-1-ylbenzoyl)amino]piperidine-1-carboxylate
CID 59850228
1-[(4-indazol-1-ylbenzoyl)amino]-2,3-dihydroindene-1-carboxylic acid
CID 166356741
N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 846926
N-(4-fluorophenyl)indazole-1-carboxamide
CID 53033778
N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]morpholine-4-carboxamide
CID 11996107
1-(1-methylpyrazol-4-yl)indazole
CID 154050163

Frequently Asked Questions

What is the IUPAC name of N-(4-indazol-1-ylphenyl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-(4-indazol-1-ylphenyl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine-2-carboxamide (CID 154874337) is N-(4-indazol-1-ylphenyl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-indazol-1-ylphenyl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-(4-indazol-1-ylphenyl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine-2-carboxamide is O=C(Nc1ccc(-n2ncc3ccccc32)cc1)N1CCc2oc3ccccc3c2C1.
What is the InChIKey of N-(4-indazol-1-ylphenyl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine-2-carboxamide?
The InChIKey is AUTVBHOHCFJULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c30-25(28-14-13-24-21(16-28)20-6-2-4-8-23(20)31-24)27-18-9-11-19(12-10-18)29-22-7-3-1-5-17(22)15-26-29/h1-12,15H,13-14,16H2,(H,27,30).
What are the key properties of N-(4-indazol-1-ylphenyl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine-2-carboxamide?
N-(4-indazol-1-ylphenyl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine-2-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-indazol-1-ylphenyl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 154874337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).