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

C20H21N7O2S — CID 170969442

IUPAC1-[4-(3-methylazetidin-1-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
SMILESCC1CN(c2ccnc(-n3cc(S(=O)(=O)Nc4cccc5cnn(C)c45)cn3)c2)C1
InChIInChI=1S/C20H21N7O2S/c1-14-11-26(12-14)16-6-7-21-19(8-16)27-13-17(10-23-27)30(28,29)24-18-5-3-4-15-9-22-25(2)20(15)18/h3-10,13-14,24H,11-12H2,1-2H3
InChIKeyDMRNEUGXLYRJLL-UHFFFAOYSA-N
MW423.50 g/mol
LogP2.41
Rot. Bonds5

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

1-[4-(3-methylazetidin-1-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide (PubChem CID 170969442) has the molecular formula C20H21N7O2S and a molecular weight of 423.50 g/mol. Its IUPAC name is 1-[4-(3-methylazetidin-1-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[4-(3-methylazetidin-1-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
PubChem CID170969442
Molecular FormulaC20H21N7O2S
Molecular Weight423.50 g/mol
Exact Mass423.15
IUPAC Name1-[4-(3-methylazetidin-1-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
SMILESCC1CN(c2ccnc(-n3cc(S(=O)(=O)Nc4cccc5cnn(C)c45)cn3)c2)C1
InChIInChI=1S/C20H21N7O2S/c1-14-11-26(12-14)16-6-7-21-19(8-16)27-13-17(10-23-27)30(28,29)24-18-5-3-4-15-9-22-25(2)20(15)18/h3-10,13-14,24H,11-12H2,1-2H3
InChIKeyDMRNEUGXLYRJLL-UHFFFAOYSA-N
XLogP2.41
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170968777
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-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-(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-(3-hydroxypentan-3-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 171918643
N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 175679500
N-[1-(trideuteriomethyl)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 171467952
1-[4-[(2R)-2-hydroxy-1-methoxypropan-2-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 171918638
1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 175679502

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylazetidin-1-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[4-(3-methylazetidin-1-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide (CID 170969442) is 1-[4-(3-methylazetidin-1-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[4-(3-methylazetidin-1-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[4-(3-methylazetidin-1-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide is CC1CN(c2ccnc(-n3cc(S(=O)(=O)Nc4cccc5cnn(C)c45)cn3)c2)C1.
What is the InChIKey of 1-[4-(3-methylazetidin-1-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The InChIKey is DMRNEUGXLYRJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2S/c1-14-11-26(12-14)16-6-7-21-19(8-16)27-13-17(10-23-27)30(28,29)24-18-5-3-4-15-9-22-25(2)20(15)18/h3-10,13-14,24H,11-12H2,1-2H3.
What are the key properties of 1-[4-(3-methylazetidin-1-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?
1-[4-(3-methylazetidin-1-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide has a molecular weight of 423.50 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylazetidin-1-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 170969442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).