N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methylindazol-4-yl]methanesulfonamide

C20H24N4O3S — CID 122633945

IUPACN-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methylindazol-4-yl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)c3c(C)nn(CC4CC4)c3c2)cn(C)c1=O
InChIInChI=1S/C20H24N4O3S/c1-12-7-16(11-23(3)20(12)25)15-8-17(22-28(4,26)27)19-13(2)21-24(18(19)9-15)10-14-5-6-14/h7-9,11,14,22H,5-6,10H2,1-4H3
InChIKeyAQOMQFKABXSDGV-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.80
Rot. Bonds5

About N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methylindazol-4-yl]methanesulfonamide

N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methylindazol-4-yl]methanesulfonamide (PubChem CID 122633945) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methylindazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methylindazol-4-yl]methanesulfonamide
PubChem CID122633945
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methylindazol-4-yl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)c3c(C)nn(CC4CC4)c3c2)cn(C)c1=O
InChIInChI=1S/C20H24N4O3S/c1-12-7-16(11-23(3)20(12)25)15-8-17(22-28(4,26)27)19-13(2)21-24(18(19)9-15)10-14-5-6-14/h7-9,11,14,22H,5-6,10H2,1-4H3
InChIKeyAQOMQFKABXSDGV-UHFFFAOYSA-N
XLogP2.80
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(cyclopropylmethyl)-7-ethylsulfonyl-2-methylbenzimidazol-5-yl]-1,3-dimethylpyridin-2-one
CID 122623748
N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfonamide
CID 122623627
N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]methanesulfonamide
CID 122633988
N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)benzotriazol-4-yl]ethanesulfonamide
CID 122623652
5-[1-(cyclopropylmethyl)-6-ethylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one
CID 122549756
N-[1-[(2,4-difluorophenyl)methyl]-6-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide
CID 122623657
5-[2-ethyl-3-[(1-methylcyclopropyl)methyl]-7-(methylsulfanylamino)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one
CID 145172155
2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one
CID 59400784
1-(cyclopropylmethyl)-3,6-dimethylindazole
CID 129023140
5-[2-cyclopropyl-6-(ethylsulfonylmethyl)-1-methylbenzimidazol-4-yl]-1,3-dimethylpyridin-2-one
CID 147751988
1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one
CID 134306065
1,3-dimethyl-5-[3-[(3-methyloxetan-3-yl)methoxy]-5-methylsulfonylphenyl]pyridin-2-one
CID 118021945

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methylindazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methylindazol-4-yl]methanesulfonamide (CID 122633945) is N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methylindazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methylindazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methylindazol-4-yl]methanesulfonamide is Cc1cc(-c2cc(NS(C)(=O)=O)c3c(C)nn(CC4CC4)c3c2)cn(C)c1=O.
What is the InChIKey of N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methylindazol-4-yl]methanesulfonamide?
The InChIKey is AQOMQFKABXSDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-12-7-16(11-23(3)20(12)25)15-8-17(22-28(4,26)27)19-13(2)21-24(18(19)9-15)10-14-5-6-14/h7-9,11,14,22H,5-6,10H2,1-4H3.
What are the key properties of N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methylindazol-4-yl]methanesulfonamide?
N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methylindazol-4-yl]methanesulfonamide has a molecular weight of 400.50 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methylindazol-4-yl]methanesulfonamide is sourced from PubChem (CID 122633945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).