N-(furan-2-ylmethyl)-2-(1H-indazol-3-yl)-1H-indole-6-carboxamide

C21H16N4O2 — CID 135531191

IUPACN-(furan-2-ylmethyl)-2-(1H-indazol-3-yl)-1H-indole-6-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2cc(-c3n[nH]c4ccccc34)[nH]c2c1
InChIInChI=1S/C21H16N4O2/c26-21(22-12-15-4-3-9-27-15)14-8-7-13-10-19(23-18(13)11-14)20-16-5-1-2-6-17(16)24-25-20/h1-11,23H,12H2,(H,22,26)(H,24,25)
InChIKeyCQQGIJAYWYDRDN-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.23
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-(1H-indazol-3-yl)-1H-indole-6-carboxamide

N-(furan-2-ylmethyl)-2-(1H-indazol-3-yl)-1H-indole-6-carboxamide (PubChem CID 135531191) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(1H-indazol-3-yl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(1H-indazol-3-yl)-1H-indole-6-carboxamide
PubChem CID135531191
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC NameN-(furan-2-ylmethyl)-2-(1H-indazol-3-yl)-1H-indole-6-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2cc(-c3n[nH]c4ccccc34)[nH]c2c1
InChIInChI=1S/C21H16N4O2/c26-21(22-12-15-4-3-9-27-15)14-8-7-13-10-19(23-18(13)11-14)20-16-5-1-2-6-17(16)24-25-20/h1-11,23H,12H2,(H,22,26)(H,24,25)
InChIKeyCQQGIJAYWYDRDN-UHFFFAOYSA-N
XLogP4.23
TPSA86.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 55923658
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3H-benzimidazole-5-carboxamide
CID 31638485
2-[amino-(2-aminophenyl)methyl]-N-(furan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 163644327
2-(difluoromethyl)-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 56561104
2,3-diethyl-N-(furan-2-ylmethyl)quinoxaline-6-carboxamide
CID 2302300
2-chloro-N-(furan-2-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100786930
2-chloro-N-(furan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide
CID 100786923
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
N-[(4-chloro-2,6-difluorophenyl)methyl]-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 135750770
N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 142502464
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(1H-indazol-3-yl)-1H-indole-6-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(1H-indazol-3-yl)-1H-indole-6-carboxamide (CID 135531191) is N-(furan-2-ylmethyl)-2-(1H-indazol-3-yl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(1H-indazol-3-yl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(1H-indazol-3-yl)-1H-indole-6-carboxamide is O=C(NCc1ccco1)c1ccc2cc(-c3n[nH]c4ccccc34)[nH]c2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(1H-indazol-3-yl)-1H-indole-6-carboxamide?
The InChIKey is CQQGIJAYWYDRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c26-21(22-12-15-4-3-9-27-15)14-8-7-13-10-19(23-18(13)11-14)20-16-5-1-2-6-17(16)24-25-20/h1-11,23H,12H2,(H,22,26)(H,24,25).
What are the key properties of N-(furan-2-ylmethyl)-2-(1H-indazol-3-yl)-1H-indole-6-carboxamide?
N-(furan-2-ylmethyl)-2-(1H-indazol-3-yl)-1H-indole-6-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 4.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(1H-indazol-3-yl)-1H-indole-6-carboxamide is sourced from PubChem (CID 135531191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).