3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole

C23H16FN5S — CID 137115567

IUPAC3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
SMILESCn1cc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(F)s6)cccc5[nH]4)c3c2)cn1
InChIInChI=1S/C23H16FN5S/c1-29-12-14(11-25-29)13-5-6-19-17(9-13)23(28-27-19)20-10-16-15(3-2-4-18(16)26-20)21-7-8-22(24)30-21/h2-12,26H,1H3,(H,27,28)
InChIKeyGHDZLCMWJHFMJN-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.98
Rot. Bonds3

About 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole

3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole (PubChem CID 137115567) has the molecular formula C23H16FN5S and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole.

Molecular Properties

Compound Name3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
PubChem CID137115567
Molecular FormulaC23H16FN5S
Molecular Weight413.48 g/mol
Exact Mass413.11
IUPAC Name3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
SMILESCn1cc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(F)s6)cccc5[nH]4)c3c2)cn1
InChIInChI=1S/C23H16FN5S/c1-29-12-14(11-25-29)13-5-6-19-17(9-13)23(28-27-19)20-10-16-15(3-2-4-18(16)26-20)21-7-8-22(24)30-21/h2-12,26H,1H3,(H,27,28)
InChIKeyGHDZLCMWJHFMJN-UHFFFAOYSA-N
XLogP5.98
TPSA62.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole?
The IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole (CID 137115567) is 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole.
What is the SMILES notation for 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole?
The canonical SMILES for 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole is Cn1cc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(F)s6)cccc5[nH]4)c3c2)cn1.
What is the InChIKey of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole?
The InChIKey is GHDZLCMWJHFMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5S/c1-29-12-14(11-25-29)13-5-6-19-17(9-13)23(28-27-19)20-10-16-15(3-2-4-18(16)26-20)21-7-8-22(24)30-21/h2-12,26H,1H3,(H,27,28).
What are the key properties of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole?
3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole has a molecular weight of 413.48 g/mol, XLogP of 5.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole is sourced from PubChem (CID 137115567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).