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

C20H17N7O2S — CID 170968747

IUPAC1-[4-(1-cyanocyclopropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
SMILESCn1ncc2cccc(NS(=O)(=O)c3cnn(-c4cc(C5(C#N)CC5)ccn4)c3)c21
InChIInChI=1S/C20H17N7O2S/c1-26-19-14(10-23-26)3-2-4-17(19)25-30(28,29)16-11-24-27(12-16)18-9-15(5-8-22-18)20(13-21)6-7-20/h2-5,8-12,25H,6-7H2,1H3
InChIKeyFSZPVNNNBMKMAY-UHFFFAOYSA-N
MW419.47 g/mol
LogP2.51
Rot. Bonds5

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

1-[4-(1-cyanocyclopropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide (PubChem CID 170968747) has the molecular formula C20H17N7O2S and a molecular weight of 419.47 g/mol. Its IUPAC name is 1-[4-(1-cyanocyclopropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[4-(1-cyanocyclopropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
PubChem CID170968747
Molecular FormulaC20H17N7O2S
Molecular Weight419.47 g/mol
Exact Mass419.12
IUPAC Name1-[4-(1-cyanocyclopropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
SMILESCn1ncc2cccc(NS(=O)(=O)c3cnn(-c4cc(C5(C#N)CC5)ccn4)c3)c21
InChIInChI=1S/C20H17N7O2S/c1-26-19-14(10-23-26)3-2-4-17(19)25-30(28,29)16-11-24-27(12-16)18-9-15(5-8-22-18)20(13-21)6-7-20/h2-5,8-12,25H,6-7H2,1H3
InChIKeyFSZPVNNNBMKMAY-UHFFFAOYSA-N
XLogP2.51
TPSA118.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-cyclopropyl-2-pyridinyl)-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969364
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-(3-methylazetidin-1-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969442
N-(1-methylindazol-7-yl)-1-[4-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 171918646
1-[4-(3-hydroxypentan-3-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 171918643
1-[4-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170968777
1-[4-[3-(methoxymethyl)cyclobutyl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 174210518
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-(1-hydroxy-3-methylcyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969139
1-[4-(1-fluoro-3-phenylmethoxycyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 174207428

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-cyanocyclopropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[4-(1-cyanocyclopropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide (CID 170968747) is 1-[4-(1-cyanocyclopropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[4-(1-cyanocyclopropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[4-(1-cyanocyclopropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide is Cn1ncc2cccc(NS(=O)(=O)c3cnn(-c4cc(C5(C#N)CC5)ccn4)c3)c21.
What is the InChIKey of 1-[4-(1-cyanocyclopropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The InChIKey is FSZPVNNNBMKMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O2S/c1-26-19-14(10-23-26)3-2-4-17(19)25-30(28,29)16-11-24-27(12-16)18-9-15(5-8-22-18)20(13-21)6-7-20/h2-5,8-12,25H,6-7H2,1H3.
What are the key properties of 1-[4-(1-cyanocyclopropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?
1-[4-(1-cyanocyclopropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide has a molecular weight of 419.47 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-cyanocyclopropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 170968747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).