5-fluoro-4-(7-fluoro-2-methyl-3-propylindazol-5-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine

C23H23F2N5O2S — CID 175484264

IUPAC5-fluoro-4-(7-fluoro-2-methyl-3-propylindazol-5-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine
SMILESCCCc1c2cc(-c3cc(Nc4cc(CS(C)(=O)=O)ccn4)ncc3F)cc(F)c2nn1C
InChIInChI=1S/C23H23F2N5O2S/c1-4-5-20-17-9-15(10-18(24)23(17)29-30(20)2)16-11-22(27-12-19(16)25)28-21-8-14(6-7-26-21)13-33(3,31)32/h6-12H,4-5,13H2,1-3H3,(H,26,27,28)
InChIKeyMEMIWSRUIWBGRY-UHFFFAOYSA-N
MW471.53 g/mol
LogP4.55
Rot. Bonds7

About 5-fluoro-4-(7-fluoro-2-methyl-3-propylindazol-5-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine

5-fluoro-4-(7-fluoro-2-methyl-3-propylindazol-5-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 175484264) has the molecular formula C23H23F2N5O2S and a molecular weight of 471.53 g/mol. Its IUPAC name is 5-fluoro-4-(7-fluoro-2-methyl-3-propylindazol-5-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(7-fluoro-2-methyl-3-propylindazol-5-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID175484264
Molecular FormulaC23H23F2N5O2S
Molecular Weight471.53 g/mol
Exact Mass471.15
IUPAC Name5-fluoro-4-(7-fluoro-2-methyl-3-propylindazol-5-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine
SMILESCCCc1c2cc(-c3cc(Nc4cc(CS(C)(=O)=O)ccn4)ncc3F)cc(F)c2nn1C
InChIInChI=1S/C23H23F2N5O2S/c1-4-5-20-17-9-15(10-18(24)23(17)29-30(20)2)16-11-22(27-12-19(16)25)28-21-8-14(6-7-26-21)13-33(3,31)32/h6-12H,4-5,13H2,1-3H3,(H,26,27,28)
InChIKeyMEMIWSRUIWBGRY-UHFFFAOYSA-N
XLogP4.55
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(7-fluoro-2-methyl-3-propylindazol-5-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-fluoro-4-(7-fluoro-2-methyl-3-propylindazol-5-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine (CID 175484264) is 5-fluoro-4-(7-fluoro-2-methyl-3-propylindazol-5-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-fluoro-4-(7-fluoro-2-methyl-3-propylindazol-5-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-fluoro-4-(7-fluoro-2-methyl-3-propylindazol-5-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine is CCCc1c2cc(-c3cc(Nc4cc(CS(C)(=O)=O)ccn4)ncc3F)cc(F)c2nn1C.
What is the InChIKey of 5-fluoro-4-(7-fluoro-2-methyl-3-propylindazol-5-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is MEMIWSRUIWBGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O2S/c1-4-5-20-17-9-15(10-18(24)23(17)29-30(20)2)16-11-22(27-12-19(16)25)28-21-8-14(6-7-26-21)13-33(3,31)32/h6-12H,4-5,13H2,1-3H3,(H,26,27,28).
What are the key properties of 5-fluoro-4-(7-fluoro-2-methyl-3-propylindazol-5-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine?
5-fluoro-4-(7-fluoro-2-methyl-3-propylindazol-5-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 471.53 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(7-fluoro-2-methyl-3-propylindazol-5-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 175484264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).