UKCSRTKFPOZTEF-OAHLLOKOSA-N

Name: UKCSRTKFPOZTEF-OAHLLOKOSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₅H₃₀F₂N₆O₄ — CID 121409849

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(3,3-difluoroazetidin-1-yl)-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanone

SMILESCOC[C@@H](C)Oc1nc(C(=O)N2CC(F)(F)C2)cc(N2CCC(c3c[nH]c4nccc(OC)c34)CC2)n1

InChIInChI=1S/C25H30F2N6O4/c1-15(12-35-2)37-24-30-18(23(34)33-13-25(26,27)14-33)10-20(31-24)32-8-5-16(6-9-32)17-11-29-22-21(17)19(36-3)4-7-28-22/h4,7,10-11,15-16H,5-6,8-9,12-14H2,1-3H3,(H,28,29)/t15-/m1/s1

InChIKeyUKCSRTKFPOZTEF-OAHLLOKOSA-N

MW516.55 g/mol

LogP3.25

Rot. Bonds8

About UKCSRTKFPOZTEF-OAHLLOKOSA-N

UKCSRTKFPOZTEF-OAHLLOKOSA-N (PubChem CID 121409849) has the molecular formula C₂₅H₃₀F₂N₆O₄ and a molecular weight of 516.55 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name	UKCSRTKFPOZTEF-OAHLLOKOSA-N
PubChem CID	121409849
Molecular Formula	C₂₅H₃₀F₂N₆O₄
Molecular Weight	516.55 g/mol
Exact Mass	516.23
IUPAC Name	(3,3-difluoroazetidin-1-yl)-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanone
SMILES	COC[C@@H](C)Oc1nc(C(=O)N2CC(F)(F)C2)cc(N2CCC(c3c[nH]c4nccc(OC)c34)CC2)n1
InChI	InChI=1S/C25H30F2N6O4/c1-15(12-35-2)37-24-30-18(23(34)33-13-25(26,27)14-33)10-20(31-24)32-8-5-16(6-9-32)17-11-29-22-21(17)19(36-3)4-7-28-22/h4,7,10-11,15-16H,5-6,8-9,12-14H2,1-3H3,(H,28,29)/t15-/m1/s1
InChIKey	UKCSRTKFPOZTEF-OAHLLOKOSA-N
XLogP	3.25
TPSA	105.70 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	8
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.55
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of UKCSRTKFPOZTEF-OAHLLOKOSA-N?

The IUPAC name of UKCSRTKFPOZTEF-OAHLLOKOSA-N (CID 121409849) is (3,3-difluoroazetidin-1-yl)-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanone.

What is the SMILES notation for UKCSRTKFPOZTEF-OAHLLOKOSA-N?

The canonical SMILES for UKCSRTKFPOZTEF-OAHLLOKOSA-N is COC[C@@H](C)Oc1nc(C(=O)N2CC(F)(F)C2)cc(N2CCC(c3c[nH]c4nccc(OC)c34)CC2)n1.

What is the InChIKey of UKCSRTKFPOZTEF-OAHLLOKOSA-N?

The InChIKey is UKCSRTKFPOZTEF-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H30F2N6O4/c1-15(12-35-2)37-24-30-18(23(34)33-13-25(26,27)14-33)10-20(31-24)32-8-5-16(6-9-32)17-11-29-22-21(17)19(36-3)4-7-28-22/h4,7,10-11,15-16H,5-6,8-9,12-14H2,1-3H3,(H,28,29)/t15-/m1/s1.

What are the key properties of UKCSRTKFPOZTEF-OAHLLOKOSA-N?

UKCSRTKFPOZTEF-OAHLLOKOSA-N has a molecular weight of 516.55 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for UKCSRTKFPOZTEF-OAHLLOKOSA-N is sourced from PubChem (CID 121409849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 121409849 — identifiers, structure, computed properties (public domain)

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