AJJOHRMXSISJBO-UHFFFAOYSA-N

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

C₂₂H₂₁F₃N₆ — CID 142126211

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

IUPACN-[6-(2-aminoethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-ethylindazol-3-amine

SMILESCCn1nc(Nc2cc(CCN)nc(-c3ccccc3C(F)(F)F)n2)c2ccccc21

InChIInChI=1S/C22H21F3N6/c1-2-31-18-10-6-4-8-16(18)21(30-31)29-19-13-14(11-12-26)27-20(28-19)15-7-3-5-9-17(15)22(23,24)25/h3-10,13H,2,11-12,26H2,1H3,(H,27,28,29,30)

InChIKeyAJJOHRMXSISJBO-UHFFFAOYSA-N

MW426.45 g/mol

LogP4.78

Rot. Bonds6

About AJJOHRMXSISJBO-UHFFFAOYSA-N

AJJOHRMXSISJBO-UHFFFAOYSA-N (PubChem CID 142126211) has the molecular formula C₂₂H₂₁F₃N₆ and a molecular weight of 426.45 g/mol. Its IUPAC name is N-[6-(2-aminoethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-ethylindazol-3-amine.

Molecular Properties

Compound Name	AJJOHRMXSISJBO-UHFFFAOYSA-N
PubChem CID	142126211
Molecular Formula	C₂₂H₂₁F₃N₆
Molecular Weight	426.45 g/mol
Exact Mass	426.18
IUPAC Name	N-[6-(2-aminoethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-ethylindazol-3-amine
SMILES	CCn1nc(Nc2cc(CCN)nc(-c3ccccc3C(F)(F)F)n2)c2ccccc21
InChI	InChI=1S/C22H21F3N6/c1-2-31-18-10-6-4-8-16(18)21(30-31)29-19-13-14(11-12-26)27-20(28-19)15-7-3-5-9-17(15)22(23,24)25/h3-10,13H,2,11-12,26H2,1H3,(H,27,28,29,30)
InChIKey	AJJOHRMXSISJBO-UHFFFAOYSA-N
XLogP	4.78
TPSA	81.65 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.45
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of AJJOHRMXSISJBO-UHFFFAOYSA-N?

The IUPAC name of AJJOHRMXSISJBO-UHFFFAOYSA-N (CID 142126211) is N-[6-(2-aminoethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-ethylindazol-3-amine.

What is the SMILES notation for AJJOHRMXSISJBO-UHFFFAOYSA-N?

The canonical SMILES for AJJOHRMXSISJBO-UHFFFAOYSA-N is CCn1nc(Nc2cc(CCN)nc(-c3ccccc3C(F)(F)F)n2)c2ccccc21.

What is the InChIKey of AJJOHRMXSISJBO-UHFFFAOYSA-N?

The InChIKey is AJJOHRMXSISJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6/c1-2-31-18-10-6-4-8-16(18)21(30-31)29-19-13-14(11-12-26)27-20(28-19)15-7-3-5-9-17(15)22(23,24)25/h3-10,13H,2,11-12,26H2,1H3,(H,27,28,29,30).

What are the key properties of AJJOHRMXSISJBO-UHFFFAOYSA-N?

AJJOHRMXSISJBO-UHFFFAOYSA-N has a molecular weight of 426.45 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for AJJOHRMXSISJBO-UHFFFAOYSA-N is sourced from PubChem (CID 142126211), 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 142126211 — identifiers, structure, computed properties (public domain)

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