3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole

C21H13FN6S — CID 137113654

IUPAC3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole
SMILESFc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)cc45)cc23)s1
InChIInChI=1S/C21H13FN6S/c22-19-4-3-18(29-19)21-14-8-17(26-15(14)5-6-23-21)20-13-7-11(12-9-24-25-10-12)1-2-16(13)27-28-20/h1-10,26H,(H,24,25)(H,27,28)
InChIKeyGIDKQYSNTGIWFT-UHFFFAOYSA-N
MW400.44 g/mol
LogP5.36
Rot. Bonds3

About 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole

3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole (PubChem CID 137113654) has the molecular formula C21H13FN6S and a molecular weight of 400.44 g/mol. Its IUPAC name is 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole.

Molecular Properties

Compound Name3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole
PubChem CID137113654
Molecular FormulaC21H13FN6S
Molecular Weight400.44 g/mol
Exact Mass400.09
IUPAC Name3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole
SMILESFc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)cc45)cc23)s1
InChIInChI=1S/C21H13FN6S/c22-19-4-3-18(29-19)21-14-8-17(26-15(14)5-6-23-21)20-13-7-11(12-9-24-25-10-12)1-2-16(13)27-28-20/h1-10,26H,(H,24,25)(H,27,28)
InChIKeyGIDKQYSNTGIWFT-UHFFFAOYSA-N
XLogP5.36
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.44
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole?
The IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole (CID 137113654) is 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole.
What is the SMILES notation for 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole?
The canonical SMILES for 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole is Fc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)cc45)cc23)s1.
What is the InChIKey of 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole?
The InChIKey is GIDKQYSNTGIWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN6S/c22-19-4-3-18(29-19)21-14-8-17(26-15(14)5-6-23-21)20-13-7-11(12-9-24-25-10-12)1-2-16(13)27-28-20/h1-10,26H,(H,24,25)(H,27,28).
What are the key properties of 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole?
3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole has a molecular weight of 400.44 g/mol, XLogP of 5.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole is sourced from PubChem (CID 137113654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).