NIBBEPCUCUFUPS-YLJYHZDGSA-N

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

C₂₅H₂₃F₂N₅O₃ — CID 122617116

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

IUPAC(1R)-1-[2-(difluoromethoxy)phenyl]-8-[2-[[(3R)-oxolan-3-yl]amino]pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one

SMILESO=c1c2ccc(-c3cnc(N[C@@H]4CCOC4)nc3)cc2n2n1CC[C@@H]2c1ccccc1OC(F)F

InChIInChI=1S/C25H23F2N5O3/c26-24(27)35-22-4-2-1-3-18(22)20-7-9-31-23(33)19-6-5-15(11-21(19)32(20)31)16-12-28-25(29-13-16)30-17-8-10-34-14-17/h1-6,11-13,17,20,24H,7-10,14H2,(H,28,29,30)/t17-,20-/m1/s1

InChIKeyNIBBEPCUCUFUPS-YLJYHZDGSA-N

MW479.49 g/mol

LogP4.06

Rot. Bonds6

About NIBBEPCUCUFUPS-YLJYHZDGSA-N

NIBBEPCUCUFUPS-YLJYHZDGSA-N (PubChem CID 122617116) has the molecular formula C₂₅H₂₃F₂N₅O₃ and a molecular weight of 479.49 g/mol. Its IUPAC name is (1R)-1-[2-(difluoromethoxy)phenyl]-8-[2-[[(3R)-oxolan-3-yl]amino]pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one.

Molecular Properties

Compound Name	NIBBEPCUCUFUPS-YLJYHZDGSA-N
PubChem CID	122617116
Molecular Formula	C₂₅H₂₃F₂N₅O₃
Molecular Weight	479.49 g/mol
Exact Mass	479.18
IUPAC Name	(1R)-1-[2-(difluoromethoxy)phenyl]-8-[2-[[(3R)-oxolan-3-yl]amino]pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one
SMILES	O=c1c2ccc(-c3cnc(N[C@@H]4CCOC4)nc3)cc2n2n1CC[C@@H]2c1ccccc1OC(F)F
InChI	InChI=1S/C25H23F2N5O3/c26-24(27)35-22-4-2-1-3-18(22)20-7-9-31-23(33)19-6-5-15(11-21(19)32(20)31)16-12-28-25(29-13-16)30-17-8-10-34-14-17/h1-6,11-13,17,20,24H,7-10,14H2,(H,28,29,30)/t17-,20-/m1/s1
InChIKey	NIBBEPCUCUFUPS-YLJYHZDGSA-N
XLogP	4.06
TPSA	83.20 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.49
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of NIBBEPCUCUFUPS-YLJYHZDGSA-N?

The IUPAC name of NIBBEPCUCUFUPS-YLJYHZDGSA-N (CID 122617116) is (1R)-1-[2-(difluoromethoxy)phenyl]-8-[2-[[(3R)-oxolan-3-yl]amino]pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one.

What is the SMILES notation for NIBBEPCUCUFUPS-YLJYHZDGSA-N?

The canonical SMILES for NIBBEPCUCUFUPS-YLJYHZDGSA-N is O=c1c2ccc(-c3cnc(N[C@@H]4CCOC4)nc3)cc2n2n1CC[C@@H]2c1ccccc1OC(F)F.

What is the InChIKey of NIBBEPCUCUFUPS-YLJYHZDGSA-N?

The InChIKey is NIBBEPCUCUFUPS-YLJYHZDGSA-N. The full InChI is InChI=1S/C25H23F2N5O3/c26-24(27)35-22-4-2-1-3-18(22)20-7-9-31-23(33)19-6-5-15(11-21(19)32(20)31)16-12-28-25(29-13-16)30-17-8-10-34-14-17/h1-6,11-13,17,20,24H,7-10,14H2,(H,28,29,30)/t17-,20-/m1/s1.

What are the key properties of NIBBEPCUCUFUPS-YLJYHZDGSA-N?

NIBBEPCUCUFUPS-YLJYHZDGSA-N has a molecular weight of 479.49 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for NIBBEPCUCUFUPS-YLJYHZDGSA-N is sourced from PubChem (CID 122617116), 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 122617116 — identifiers, structure, computed properties (public domain)

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