1-[4-(3-hydroxypentan-3-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide

C21H24N6O3S — CID 171918643

IUPAC1-[4-(3-hydroxypentan-3-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
SMILESCCC(O)(CC)c1ccnc(-n2cc(S(=O)(=O)Nc3cccc4cnn(C)c34)cn2)c1
InChIInChI=1S/C21H24N6O3S/c1-4-21(28,5-2)16-9-10-22-19(11-16)27-14-17(13-24-27)31(29,30)25-18-8-6-7-15-12-23-26(3)20(15)18/h6-14,25,28H,4-5H2,1-3H3
InChIKeyXGFQLHTVJRGRQE-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.96
Rot. Bonds7

About 1-[4-(3-hydroxypentan-3-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide

1-[4-(3-hydroxypentan-3-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide (PubChem CID 171918643) has the molecular formula C21H24N6O3S and a molecular weight of 440.53 g/mol. Its IUPAC name is 1-[4-(3-hydroxypentan-3-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[4-(3-hydroxypentan-3-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
PubChem CID171918643
Molecular FormulaC21H24N6O3S
Molecular Weight440.53 g/mol
Exact Mass440.16
IUPAC Name1-[4-(3-hydroxypentan-3-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
SMILESCCC(O)(CC)c1ccnc(-n2cc(S(=O)(=O)Nc3cccc4cnn(C)c34)cn2)c1
InChIInChI=1S/C21H24N6O3S/c1-4-21(28,5-2)16-9-10-22-19(11-16)27-14-17(13-24-27)31(29,30)25-18-8-6-7-15-12-23-26(3)20(15)18/h6-14,25,28H,4-5H2,1-3H3
InChIKeyXGFQLHTVJRGRQE-UHFFFAOYSA-N
XLogP2.96
TPSA114.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[(2R)-2-hydroxy-1-methoxypropan-2-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 171918638
N-[1-(trideuteriomethyl)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 171467952
1-(4-acetyl-2-pyridinyl)-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969256
1-[4-(1-hydroxyethyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969373
1-(4-cyclopropyl-2-pyridinyl)-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969364
N-(1-methylindazol-7-yl)-1-[4-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 171918646
1-[4-(3-methylazetidin-1-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969442
1-[4-(1-cyanocyclopropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170968747
1-[4-[3-(methoxymethyl)cyclobutyl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 174210518
1-[4-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170968777
N-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170969003
N-[1-methyl-6-(trifluoromethoxy)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]sulfonylpyrazole-4-sulfonamide
CID 170969478

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-hydroxypentan-3-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[4-(3-hydroxypentan-3-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide (CID 171918643) is 1-[4-(3-hydroxypentan-3-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[4-(3-hydroxypentan-3-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[4-(3-hydroxypentan-3-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide is CCC(O)(CC)c1ccnc(-n2cc(S(=O)(=O)Nc3cccc4cnn(C)c34)cn2)c1.
What is the InChIKey of 1-[4-(3-hydroxypentan-3-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The InChIKey is XGFQLHTVJRGRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3S/c1-4-21(28,5-2)16-9-10-22-19(11-16)27-14-17(13-24-27)31(29,30)25-18-8-6-7-15-12-23-26(3)20(15)18/h6-14,25,28H,4-5H2,1-3H3.
What are the key properties of 1-[4-(3-hydroxypentan-3-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?
1-[4-(3-hydroxypentan-3-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide has a molecular weight of 440.53 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-hydroxypentan-3-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 171918643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).