(2-fluoro-4-hydroxyphenyl)-[4-[3-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]methanone

C25H24F2N6O2 — CID 174221162

About (2-fluoro-4-hydroxyphenyl)-[4-[3-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]methanone

(2-fluoro-4-hydroxyphenyl)-[4-[3-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]methanone (PubChem CID 174221162) has the molecular formula C25H24F2N6O2 and a molecular weight of 478.50 g/mol. Its IUPAC name is (2-fluoro-4-hydroxyphenyl)-[4-[3-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-fluoro-4-hydroxyphenyl)-[4-[3-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]methanone
• PubChem CID: 174221162
• Molecular Formula: C25H24F2N6O2
• Molecular Weight: 478.50 g/mol
• Exact Mass: 478.19
• IUPAC Name: (2-fluoro-4-hydroxyphenyl)-[4-[3-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]methanone
• SMILES: O=C(c1ccc(O)cc1F)N1CCC(N2CC(n3cc(-c4c(F)cnc5[nH]ccc45)cn3)C2)CC1
• InChI: InChI=1S/C25H24F2N6O2/c26-21-9-18(34)1-2-19(21)25(35)31-7-4-16(5-8-31)32-13-17(14-32)33-12-15(10-30-33)23-20-3-6-28-24(20)29-11-22(23)27/h1-3,6,9-12,16-17,34H,4-5,7-8,13-14H2,(H,28,29)
• InChIKey: YHESFOLAJCMMSN-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 90.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.50
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-hydroxyphenyl)-[4-[3-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]methanone?

The IUPAC name of (2-fluoro-4-hydroxyphenyl)-[4-[3-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]methanone (CID 174221162) is (2-fluoro-4-hydroxyphenyl)-[4-[3-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (2-fluoro-4-hydroxyphenyl)-[4-[3-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]methanone?

The canonical SMILES for (2-fluoro-4-hydroxyphenyl)-[4-[3-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]methanone is O=C(c1ccc(O)cc1F)N1CCC(N2CC(n3cc(-c4c(F)cnc5[nH]ccc45)cn3)C2)CC1.

What is the InChIKey of (2-fluoro-4-hydroxyphenyl)-[4-[3-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]methanone?

The InChIKey is YHESFOLAJCMMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N6O2/c26-21-9-18(34)1-2-19(21)25(35)31-7-4-16(5-8-31)32-13-17(14-32)33-12-15(10-30-33)23-20-3-6-28-24(20)29-11-22(23)27/h1-3,6,9-12,16-17,34H,4-5,7-8,13-14H2,(H,28,29).

What are the key properties of (2-fluoro-4-hydroxyphenyl)-[4-[3-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]methanone?

(2-fluoro-4-hydroxyphenyl)-[4-[3-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 478.50 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2-fluoro-4-hydroxyphenyl)-[4-[3-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 174221162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).