N-(furan-2-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide

C20H22N4O2 — CID 68618356

IUPACN-(furan-2-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
SMILESCN1C2CCC1CC(N(C(=O)c1n[nH]c3ccccc13)c1ccco1)C2
InChIInChI=1S/C20H22N4O2/c1-23-13-8-9-14(23)12-15(11-13)24(18-7-4-10-26-18)20(25)19-16-5-2-3-6-17(16)21-22-19/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,21,22)
InChIKeyRMYXQZHSVBSRBM-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.43
Rot. Bonds3

About N-(furan-2-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide

N-(furan-2-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide (PubChem CID 68618356) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(furan-2-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
PubChem CID68618356
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(furan-2-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
SMILESCN1C2CCC1CC(N(C(=O)c1n[nH]c3ccccc13)c1ccco1)C2
InChIInChI=1S/C20H22N4O2/c1-23-13-8-9-14(23)12-15(11-13)24(18-7-4-10-26-18)20(25)19-16-5-2-3-6-17(16)21-22-19/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,21,22)
InChIKeyRMYXQZHSVBSRBM-UHFFFAOYSA-N
XLogP3.43
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(furan-2-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide (CID 68618356) is N-(furan-2-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(furan-2-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide is CN1C2CCC1CC(N(C(=O)c1n[nH]c3ccccc13)c1ccco1)C2.
What is the InChIKey of N-(furan-2-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide?
The InChIKey is RMYXQZHSVBSRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23-13-8-9-14(23)12-15(11-13)24(18-7-4-10-26-18)20(25)19-16-5-2-3-6-17(16)21-22-19/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,21,22).
What are the key properties of N-(furan-2-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide?
N-(furan-2-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 68618356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).