YIOOPRGIMPGOEM-IBGZPJMESA-N

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

C₂₀H₂₂F₄N₄O — CID 152526208

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

IUPAC(2S)-1-[2-fluoro-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenoxy]-2,4-dimethylpentan-2-amine

SMILESCC(C)C[C@](C)(N)COc1ccc(-c2c(C(F)(F)F)nn3cccnc23)cc1F

InChIInChI=1S/C20H22F4N4O/c1-12(2)10-19(3,25)11-29-15-6-5-13(9-14(15)21)16-17(20(22,23)24)27-28-8-4-7-26-18(16)28/h4-9,12H,10-11,25H2,1-3H3/t19-/m0/s1

InChIKeyYIOOPRGIMPGOEM-IBGZPJMESA-N

MW410.42 g/mol

LogP4.70

Rot. Bonds6

About YIOOPRGIMPGOEM-IBGZPJMESA-N

YIOOPRGIMPGOEM-IBGZPJMESA-N (PubChem CID 152526208) has the molecular formula C₂₀H₂₂F₄N₄O and a molecular weight of 410.42 g/mol. Its IUPAC name is (2S)-1-[2-fluoro-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenoxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name	YIOOPRGIMPGOEM-IBGZPJMESA-N
PubChem CID	152526208
Molecular Formula	C₂₀H₂₂F₄N₄O
Molecular Weight	410.42 g/mol
Exact Mass	410.17
IUPAC Name	(2S)-1-[2-fluoro-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenoxy]-2,4-dimethylpentan-2-amine
SMILES	CC(C)C[C@](C)(N)COc1ccc(-c2c(C(F)(F)F)nn3cccnc23)cc1F
InChI	InChI=1S/C20H22F4N4O/c1-12(2)10-19(3,25)11-29-15-6-5-13(9-14(15)21)16-17(20(22,23)24)27-28-8-4-7-26-18(16)28/h4-9,12H,10-11,25H2,1-3H3/t19-/m0/s1
InChIKey	YIOOPRGIMPGOEM-IBGZPJMESA-N
XLogP	4.70
TPSA	65.44 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.42
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of YIOOPRGIMPGOEM-IBGZPJMESA-N?

The IUPAC name of YIOOPRGIMPGOEM-IBGZPJMESA-N (CID 152526208) is (2S)-1-[2-fluoro-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenoxy]-2,4-dimethylpentan-2-amine.

What is the SMILES notation for YIOOPRGIMPGOEM-IBGZPJMESA-N?

The canonical SMILES for YIOOPRGIMPGOEM-IBGZPJMESA-N is CC(C)C[C@](C)(N)COc1ccc(-c2c(C(F)(F)F)nn3cccnc23)cc1F.

What is the InChIKey of YIOOPRGIMPGOEM-IBGZPJMESA-N?

The InChIKey is YIOOPRGIMPGOEM-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22F4N4O/c1-12(2)10-19(3,25)11-29-15-6-5-13(9-14(15)21)16-17(20(22,23)24)27-28-8-4-7-26-18(16)28/h4-9,12H,10-11,25H2,1-3H3/t19-/m0/s1.

What are the key properties of YIOOPRGIMPGOEM-IBGZPJMESA-N?

YIOOPRGIMPGOEM-IBGZPJMESA-N has a molecular weight of 410.42 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for YIOOPRGIMPGOEM-IBGZPJMESA-N is sourced from PubChem (CID 152526208), 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 152526208 — identifiers, structure, computed properties (public domain)

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