3-amino-N-[5-(3,5-difluorophenyl)sulfonylindazol-1-yl]pyridine-4-carboxamide

C19H13F2N5O3S — CID 172806374

IUPAC3-amino-N-[5-(3,5-difluorophenyl)sulfonylindazol-1-yl]pyridine-4-carboxamide
SMILESNc1cnccc1C(=O)Nn1ncc2cc(S(=O)(=O)c3cc(F)cc(F)c3)ccc21
InChIInChI=1S/C19H13F2N5O3S/c20-12-6-13(21)8-15(7-12)30(28,29)14-1-2-18-11(5-14)9-24-26(18)25-19(27)16-3-4-23-10-17(16)22/h1-10H,22H2,(H,25,27)
InChIKeyROKPUAKRDBKBCD-UHFFFAOYSA-N
MW429.41 g/mol
LogP2.51
Rot. Bonds4

About 3-amino-N-[5-(3,5-difluorophenyl)sulfonylindazol-1-yl]pyridine-4-carboxamide

3-amino-N-[5-(3,5-difluorophenyl)sulfonylindazol-1-yl]pyridine-4-carboxamide (PubChem CID 172806374) has the molecular formula C19H13F2N5O3S and a molecular weight of 429.41 g/mol. Its IUPAC name is 3-amino-N-[5-(3,5-difluorophenyl)sulfonylindazol-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-(3,5-difluorophenyl)sulfonylindazol-1-yl]pyridine-4-carboxamide
PubChem CID172806374
Molecular FormulaC19H13F2N5O3S
Molecular Weight429.41 g/mol
Exact Mass429.07
IUPAC Name3-amino-N-[5-(3,5-difluorophenyl)sulfonylindazol-1-yl]pyridine-4-carboxamide
SMILESNc1cnccc1C(=O)Nn1ncc2cc(S(=O)(=O)c3cc(F)cc(F)c3)ccc21
InChIInChI=1S/C19H13F2N5O3S/c20-12-6-13(21)8-15(7-12)30(28,29)14-1-2-18-11(5-14)9-24-26(18)25-19(27)16-3-4-23-10-17(16)22/h1-10H,22H2,(H,25,27)
InChIKeyROKPUAKRDBKBCD-UHFFFAOYSA-N
XLogP2.51
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(3,5-difluorophenyl)sulfonylindazol-1-yl]pyridine-4-carboxamide?
The IUPAC name of 3-amino-N-[5-(3,5-difluorophenyl)sulfonylindazol-1-yl]pyridine-4-carboxamide (CID 172806374) is 3-amino-N-[5-(3,5-difluorophenyl)sulfonylindazol-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-[5-(3,5-difluorophenyl)sulfonylindazol-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-[5-(3,5-difluorophenyl)sulfonylindazol-1-yl]pyridine-4-carboxamide is Nc1cnccc1C(=O)Nn1ncc2cc(S(=O)(=O)c3cc(F)cc(F)c3)ccc21.
What is the InChIKey of 3-amino-N-[5-(3,5-difluorophenyl)sulfonylindazol-1-yl]pyridine-4-carboxamide?
The InChIKey is ROKPUAKRDBKBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O3S/c20-12-6-13(21)8-15(7-12)30(28,29)14-1-2-18-11(5-14)9-24-26(18)25-19(27)16-3-4-23-10-17(16)22/h1-10H,22H2,(H,25,27).
What are the key properties of 3-amino-N-[5-(3,5-difluorophenyl)sulfonylindazol-1-yl]pyridine-4-carboxamide?
3-amino-N-[5-(3,5-difluorophenyl)sulfonylindazol-1-yl]pyridine-4-carboxamide has a molecular weight of 429.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(3,5-difluorophenyl)sulfonylindazol-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 172806374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).