SWNNBUICZMYSBJ-SFHVURJKSA-N

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

C₂₄H₂₂F₂N₄O₃ — CID 122617046

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

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

SMILESCC(C)(O)c1ncc(-c2ccc3c(=O)n4n(c3c2)[C@H](c2ccccc2OC(F)F)CC4)cn1

InChIInChI=1S/C24H22F2N4O3/c1-24(2,32)22-27-12-15(13-28-22)14-7-8-17-19(11-14)30-18(9-10-29(30)21(17)31)16-5-3-4-6-20(16)33-23(25)26/h3-8,11-13,18,23,32H,9-10H2,1-2H3/t18-/m0/s1

InChIKeySWNNBUICZMYSBJ-SFHVURJKSA-N

MW452.46 g/mol

LogP4.08

Rot. Bonds5

About SWNNBUICZMYSBJ-SFHVURJKSA-N

SWNNBUICZMYSBJ-SFHVURJKSA-N (PubChem CID 122617046) has the molecular formula C₂₄H₂₂F₂N₄O₃ and a molecular weight of 452.46 g/mol. Its IUPAC name is (1S)-1-[2-(difluoromethoxy)phenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one.

Molecular Properties

Compound Name	SWNNBUICZMYSBJ-SFHVURJKSA-N
PubChem CID	122617046
Molecular Formula	C₂₄H₂₂F₂N₄O₃
Molecular Weight	452.46 g/mol
Exact Mass	452.17
IUPAC Name	(1S)-1-[2-(difluoromethoxy)phenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one
SMILES	CC(C)(O)c1ncc(-c2ccc3c(=O)n4n(c3c2)[C@H](c2ccccc2OC(F)F)CC4)cn1
InChI	InChI=1S/C24H22F2N4O3/c1-24(2,32)22-27-12-15(13-28-22)14-7-8-17-19(11-14)30-18(9-10-29(30)21(17)31)16-5-3-4-6-20(16)33-23(25)26/h3-8,11-13,18,23,32H,9-10H2,1-2H3/t18-/m0/s1
InChIKey	SWNNBUICZMYSBJ-SFHVURJKSA-N
XLogP	4.08
TPSA	82.17 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.46
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of SWNNBUICZMYSBJ-SFHVURJKSA-N?

The IUPAC name of SWNNBUICZMYSBJ-SFHVURJKSA-N (CID 122617046) is (1S)-1-[2-(difluoromethoxy)phenyl]-8-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one.

What is the SMILES notation for SWNNBUICZMYSBJ-SFHVURJKSA-N?

The canonical SMILES for SWNNBUICZMYSBJ-SFHVURJKSA-N is CC(C)(O)c1ncc(-c2ccc3c(=O)n4n(c3c2)[C@H](c2ccccc2OC(F)F)CC4)cn1.

What is the InChIKey of SWNNBUICZMYSBJ-SFHVURJKSA-N?

The InChIKey is SWNNBUICZMYSBJ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H22F2N4O3/c1-24(2,32)22-27-12-15(13-28-22)14-7-8-17-19(11-14)30-18(9-10-29(30)21(17)31)16-5-3-4-6-20(16)33-23(25)26/h3-8,11-13,18,23,32H,9-10H2,1-2H3/t18-/m0/s1.

What are the key properties of SWNNBUICZMYSBJ-SFHVURJKSA-N?

SWNNBUICZMYSBJ-SFHVURJKSA-N has a molecular weight of 452.46 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for SWNNBUICZMYSBJ-SFHVURJKSA-N is sourced from PubChem (CID 122617046), 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 122617046 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.