5-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol

C22H13FN6OS — CID 136936960

IUPAC5-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C22H13FN6OS/c23-18-4-3-17(31-18)21-20-16(5-6-25-21)26-22(27-20)19-14-8-11(1-2-15(14)28-29-19)12-7-13(30)10-24-9-12/h1-10,30H,(H,26,27)(H,28,29)
InChIKeySTKHLROOOAJULR-UHFFFAOYSA-N
MW428.45 g/mol
LogP5.14
Rot. Bonds3

About 5-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol

5-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol (PubChem CID 136936960) has the molecular formula C22H13FN6OS and a molecular weight of 428.45 g/mol. Its IUPAC name is 5-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
PubChem CID136936960
Molecular FormulaC22H13FN6OS
Molecular Weight428.45 g/mol
Exact Mass428.09
IUPAC Name5-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C22H13FN6OS/c23-18-4-3-17(31-18)21-20-16(5-6-25-21)26-22(27-20)19-14-8-11(1-2-15(14)28-29-19)12-7-13(30)10-24-9-12/h1-10,30H,(H,26,27)(H,28,29)
InChIKeySTKHLROOOAJULR-UHFFFAOYSA-N
XLogP5.14
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol (CID 136936960) is 5-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol is Oc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of 5-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The InChIKey is STKHLROOOAJULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FN6OS/c23-18-4-3-17(31-18)21-20-16(5-6-25-21)26-22(27-20)19-14-8-11(1-2-15(14)28-29-19)12-7-13(30)10-24-9-12/h1-10,30H,(H,26,27)(H,28,29).
What are the key properties of 5-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
5-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol has a molecular weight of 428.45 g/mol, XLogP of 5.14, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 136936960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).