5-fluoro-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine

C23H24FN7 — CID 139448859

IUPAC5-fluoro-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
SMILESC=C(Nc1cncc(F)c1)c1n[nH]c2ccc(-c3cnn(C4CCN(C)CC4)c3)cc12
InChIInChI=1S/C23H24FN7/c1-15(27-19-10-18(24)12-25-13-19)23-21-9-16(3-4-22(21)28-29-23)17-11-26-31(14-17)20-5-7-30(2)8-6-20/h3-4,9-14,20,27H,1,5-8H2,2H3,(H,28,29)
InChIKeyOKXPGSDQRXQJHV-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.31
Rot. Bonds5

About 5-fluoro-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine

5-fluoro-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine (PubChem CID 139448859) has the molecular formula C23H24FN7 and a molecular weight of 417.49 g/mol. Its IUPAC name is 5-fluoro-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine.

Molecular Properties

Compound Name5-fluoro-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
PubChem CID139448859
Molecular FormulaC23H24FN7
Molecular Weight417.49 g/mol
Exact Mass417.21
IUPAC Name5-fluoro-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
SMILESC=C(Nc1cncc(F)c1)c1n[nH]c2ccc(-c3cnn(C4CCN(C)CC4)c3)cc12
InChIInChI=1S/C23H24FN7/c1-15(27-19-10-18(24)12-25-13-19)23-21-9-16(3-4-22(21)28-29-23)17-11-26-31(14-17)20-5-7-30(2)8-6-20/h3-4,9-14,20,27H,1,5-8H2,2H3,(H,28,29)
InChIKeyOKXPGSDQRXQJHV-UHFFFAOYSA-N
XLogP4.31
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine?
The IUPAC name of 5-fluoro-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine (CID 139448859) is 5-fluoro-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine.
What is the SMILES notation for 5-fluoro-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine?
The canonical SMILES for 5-fluoro-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine is C=C(Nc1cncc(F)c1)c1n[nH]c2ccc(-c3cnn(C4CCN(C)CC4)c3)cc12.
What is the InChIKey of 5-fluoro-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine?
The InChIKey is OKXPGSDQRXQJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7/c1-15(27-19-10-18(24)12-25-13-19)23-21-9-16(3-4-22(21)28-29-23)17-11-26-31(14-17)20-5-7-30(2)8-6-20/h3-4,9-14,20,27H,1,5-8H2,2H3,(H,28,29).
What are the key properties of 5-fluoro-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine?
5-fluoro-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine has a molecular weight of 417.49 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine is sourced from PubChem (CID 139448859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).