N-[5-[[2-(1H-indazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methyl]-2-methylphenyl]methanesulfonamide

C23H28N4O2S — CID 58306305

IUPACN-[5-[[2-(1H-indazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methyl]-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(CN2C3CCC2C(Cc2ccc4[nH]ncc4c2)C3)cc1NS(C)(=O)=O
InChIInChI=1S/C23H28N4O2S/c1-15-3-4-17(11-22(15)26-30(2,28)29)14-27-20-6-8-23(27)18(12-20)9-16-5-7-21-19(10-16)13-24-25-21/h3-5,7,10-11,13,18,20,23,26H,6,8-9,12,14H2,1-2H3,(H,24,25)
InChIKeyKJOHPOVGCXJWJX-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.84
Rot. Bonds6

About N-[5-[[2-(1H-indazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methyl]-2-methylphenyl]methanesulfonamide

N-[5-[[2-(1H-indazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methyl]-2-methylphenyl]methanesulfonamide (PubChem CID 58306305) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[5-[[2-(1H-indazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methyl]-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[[2-(1H-indazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methyl]-2-methylphenyl]methanesulfonamide
PubChem CID58306305
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC NameN-[5-[[2-(1H-indazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methyl]-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(CN2C3CCC2C(Cc2ccc4[nH]ncc4c2)C3)cc1NS(C)(=O)=O
InChIInChI=1S/C23H28N4O2S/c1-15-3-4-17(11-22(15)26-30(2,28)29)14-27-20-6-8-23(27)18(12-20)9-16-5-7-21-19(10-16)13-24-25-21/h3-5,7,10-11,13,18,20,23,26H,6,8-9,12,14H2,1-2H3,(H,24,25)
InChIKeyKJOHPOVGCXJWJX-UHFFFAOYSA-N
XLogP3.84
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-[[2-(1H-indazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methyl]-2-methylphenyl]methanesulfonamide with MolForge

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Related Compounds

N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]methanesulfonamide
CID 118959995
N-[3-[[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide
CID 25010078
N-[3-[[(3S)-3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide
CID 25010255
N-[3-[[(3R)-3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide
CID 25010257
(1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine
CID 165122749
6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-indazole
CID 126783080
(5R,7S)-1-(3-fluorophenyl)-8-(1H-indazol-5-ylmethyl)-3,7-dimethyl-2lambda6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
CID 66930624
N-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]phenyl]methanesulfonamide
CID 89782903
1-[[(3S,5R)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674440
1-[[(3S,5R)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674502
1-[[(3S,5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674514
1-[[(3S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674521

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(1H-indazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methyl]-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[5-[[2-(1H-indazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methyl]-2-methylphenyl]methanesulfonamide (CID 58306305) is N-[5-[[2-(1H-indazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methyl]-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[[2-(1H-indazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methyl]-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[5-[[2-(1H-indazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methyl]-2-methylphenyl]methanesulfonamide is Cc1ccc(CN2C3CCC2C(Cc2ccc4[nH]ncc4c2)C3)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[[2-(1H-indazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methyl]-2-methylphenyl]methanesulfonamide?
The InChIKey is KJOHPOVGCXJWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-15-3-4-17(11-22(15)26-30(2,28)29)14-27-20-6-8-23(27)18(12-20)9-16-5-7-21-19(10-16)13-24-25-21/h3-5,7,10-11,13,18,20,23,26H,6,8-9,12,14H2,1-2H3,(H,24,25).
What are the key properties of N-[5-[[2-(1H-indazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methyl]-2-methylphenyl]methanesulfonamide?
N-[5-[[2-(1H-indazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methyl]-2-methylphenyl]methanesulfonamide has a molecular weight of 424.57 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(1H-indazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methyl]-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 58306305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).