5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol

C22H13FN6OS — CID 138603720

About 5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol

5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol (PubChem CID 138603720) 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-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol.

Molecular Properties

• Compound Name: 5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
• PubChem CID: 138603720
• Molecular Formula: C22H13FN6OS
• Molecular Weight: 428.45 g/mol
• Exact Mass: 428.09
• IUPAC Name: 5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
• SMILES: Oc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)s6)ccnc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C22H13FN6OS/c23-20-2-1-19(31-20)13-3-4-25-22-14(13)6-17(27-22)21-15-7-16(26-10-18(15)28-29-21)11-5-12(30)9-24-8-11/h1-10,30H,(H,25,27)(H,28,29)
• InChIKey: NRMDXRPGEVDGMF-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 103.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.45
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol?

The IUPAC name of 5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol (CID 138603720) is 5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol.

What is the SMILES notation for 5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol?

The canonical SMILES for 5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol is Oc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)s6)ccnc5[nH]4)n[nH]c3cn2)c1.

What is the InChIKey of 5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol?

The InChIKey is NRMDXRPGEVDGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FN6OS/c23-20-2-1-19(31-20)13-3-4-25-22-14(13)6-17(27-22)21-15-7-16(26-10-18(15)28-29-21)11-5-12(30)9-24-8-11/h1-10,30H,(H,25,27)(H,28,29).

What are the key properties of 5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol?

5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-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-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol is sourced from PubChem (CID 138603720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).