N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-1H-indazole-7-carboxamide

C22H24N4O — CID 67472963

IUPACN-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-1H-indazole-7-carboxamide
SMILESCN1C2CCC1(C(NC(=O)c1cccc3cn[nH]c13)c1ccccc1)CC2
InChIInChI=1S/C22H24N4O/c1-26-17-10-12-22(26,13-11-17)20(15-6-3-2-4-7-15)24-21(27)18-9-5-8-16-14-23-25-19(16)18/h2-9,14,17,20H,10-13H2,1H3,(H,23,25)(H,24,27)
InChIKeyLSIUPXQDQPEKPE-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.66
Rot. Bonds4

About N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-1H-indazole-7-carboxamide

N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-1H-indazole-7-carboxamide (PubChem CID 67472963) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-1H-indazole-7-carboxamide
PubChem CID67472963
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-1H-indazole-7-carboxamide
SMILESCN1C2CCC1(C(NC(=O)c1cccc3cn[nH]c13)c1ccccc1)CC2
InChIInChI=1S/C22H24N4O/c1-26-17-10-12-22(26,13-11-17)20(15-6-3-2-4-7-15)24-21(27)18-9-5-8-16-14-23-25-19(16)18/h2-9,14,17,20H,10-13H2,1H3,(H,23,25)(H,24,27)
InChIKeyLSIUPXQDQPEKPE-UHFFFAOYSA-N
XLogP3.66
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-1H-indazole-7-carboxamide?
The IUPAC name of N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-1H-indazole-7-carboxamide (CID 67472963) is N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-1H-indazole-7-carboxamide?
The canonical SMILES for N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-1H-indazole-7-carboxamide is CN1C2CCC1(C(NC(=O)c1cccc3cn[nH]c13)c1ccccc1)CC2.
What is the InChIKey of N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-1H-indazole-7-carboxamide?
The InChIKey is LSIUPXQDQPEKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-26-17-10-12-22(26,13-11-17)20(15-6-3-2-4-7-15)24-21(27)18-9-5-8-16-14-23-25-19(16)18/h2-9,14,17,20H,10-13H2,1H3,(H,23,25)(H,24,27).
What are the key properties of N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-1H-indazole-7-carboxamide?
N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-1H-indazole-7-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 67472963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).