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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Related Compounds

2-amino-N-[5-(3,5-difluorophenyl)sulfonylindazol-1-yl]-3-[methyl(2-piperidin-1-ylethyl)amino]benzamide
CID 172710331
N-[5-(3,5-difluorophenyl)sulfonylindazol-1-yl]-3-[methyl(2-piperidin-1-ylethyl)amino]-2-nitrobenzamide
CID 172741555
5-(3,5-difluorophenyl)sulfonyl-1-tritylindazole
CID 141209515
4-[2-(dimethylamino)ethyl-methylamino]-N-[5-(3-fluorophenyl)sulfonylindazol-1-yl]-2-(2-methoxyethylamino)benzamide
CID 172794277
N-[5-(3-fluorophenyl)sulfonylindazol-1-yl]-3-[methyl(2-piperidin-1-ylethyl)amino]-2-(oxan-2-ylamino)benzamide
CID 172799640
3-amino-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 23633068
2-amino-N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-3-(4-methylpiperazin-1-yl)benzamide
CID 172791698
N-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90013163
N-[[4-(1-methylindazol-6-yl)sulfonylphenyl]methyl]isoquinoline-7-carboxamide
CID 138592982
3-amino-N-(1,3-thiazol-2-ylmethyl)pyridine-4-carboxamide
CID 105069243
N-[[4-(3-fluoro-5-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 66609762
3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 105068860

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).