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

C21H20F2N6O3S — CID 170968850

IUPAC1-[4-(3,3-difluoro-1-methoxycyclobutyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
SMILESCOC1(c2ccnc(-n3cc(S(=O)(=O)Nc4cccc5cnn(C)c45)cn3)c2)CC(F)(F)C1
InChIInChI=1S/C21H20F2N6O3S/c1-28-19-14(9-25-28)4-3-5-17(19)27-33(30,31)16-10-26-29(11-16)18-8-15(6-7-24-18)20(32-2)12-21(22,23)13-20/h3-11,27H,12-13H2,1-2H3
InChIKeyYNVDWGZWWCQOBC-UHFFFAOYSA-N
MW474.49 g/mol
LogP3.23
Rot. Bonds6

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

1-[4-(3,3-difluoro-1-methoxycyclobutyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide (PubChem CID 170968850) has the molecular formula C21H20F2N6O3S and a molecular weight of 474.49 g/mol. Its IUPAC name is 1-[4-(3,3-difluoro-1-methoxycyclobutyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[4-(3,3-difluoro-1-methoxycyclobutyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
PubChem CID170968850
Molecular FormulaC21H20F2N6O3S
Molecular Weight474.49 g/mol
Exact Mass474.13
IUPAC Name1-[4-(3,3-difluoro-1-methoxycyclobutyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
SMILESCOC1(c2ccnc(-n3cc(S(=O)(=O)Nc4cccc5cnn(C)c45)cn3)c2)CC(F)(F)C1
InChIInChI=1S/C21H20F2N6O3S/c1-28-19-14(9-25-28)4-3-5-17(19)27-33(30,31)16-10-26-29(11-16)18-8-15(6-7-24-18)20(32-2)12-21(22,23)13-20/h3-11,27H,12-13H2,1-2H3
InChIKeyYNVDWGZWWCQOBC-UHFFFAOYSA-N
XLogP3.23
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,3-difluoro-1-methoxycyclobutyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[4-(3,3-difluoro-1-methoxycyclobutyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide (CID 170968850) is 1-[4-(3,3-difluoro-1-methoxycyclobutyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[4-(3,3-difluoro-1-methoxycyclobutyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[4-(3,3-difluoro-1-methoxycyclobutyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide is COC1(c2ccnc(-n3cc(S(=O)(=O)Nc4cccc5cnn(C)c45)cn3)c2)CC(F)(F)C1.
What is the InChIKey of 1-[4-(3,3-difluoro-1-methoxycyclobutyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The InChIKey is YNVDWGZWWCQOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N6O3S/c1-28-19-14(9-25-28)4-3-5-17(19)27-33(30,31)16-10-26-29(11-16)18-8-15(6-7-24-18)20(32-2)12-21(22,23)13-20/h3-11,27H,12-13H2,1-2H3.
What are the key properties of 1-[4-(3,3-difluoro-1-methoxycyclobutyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?
1-[4-(3,3-difluoro-1-methoxycyclobutyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide has a molecular weight of 474.49 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3-difluoro-1-methoxycyclobutyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 170968850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).