UGUAYJKLCWYPRF-KRWDZBQOSA-N

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

C₂₂H₂₀F₃N₅O — CID 118663821

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

IUPAC[6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol

SMILESN[C@@H](CCC(F)(F)F)c1cccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1

InChIInChI=1S/C22H20F3N5O/c23-22(24,25)10-9-17(26)19-5-2-4-18(29-19)14-7-8-15-12-27-30(20(15)11-14)21-6-1-3-16(13-31)28-21/h1-8,11-12,17,31H,9-10,13,26H2/t17-/m0/s1

InChIKeyUGUAYJKLCWYPRF-KRWDZBQOSA-N

MW427.43 g/mol

LogP4.32

Rot. Bonds6

About UGUAYJKLCWYPRF-KRWDZBQOSA-N

UGUAYJKLCWYPRF-KRWDZBQOSA-N (PubChem CID 118663821) has the molecular formula C₂₂H₂₀F₃N₅O and a molecular weight of 427.43 g/mol. Its IUPAC name is [6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name	UGUAYJKLCWYPRF-KRWDZBQOSA-N
PubChem CID	118663821
Molecular Formula	C₂₂H₂₀F₃N₅O
Molecular Weight	427.43 g/mol
Exact Mass	427.16
IUPAC Name	[6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
SMILES	N[C@@H](CCC(F)(F)F)c1cccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1
InChI	InChI=1S/C22H20F3N5O/c23-22(24,25)10-9-17(26)19-5-2-4-18(29-19)14-7-8-15-12-27-30(20(15)11-14)21-6-1-3-16(13-31)28-21/h1-8,11-12,17,31H,9-10,13,26H2/t17-/m0/s1
InChIKey	UGUAYJKLCWYPRF-KRWDZBQOSA-N
XLogP	4.32
TPSA	89.85 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	427.43
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of UGUAYJKLCWYPRF-KRWDZBQOSA-N?

The IUPAC name of UGUAYJKLCWYPRF-KRWDZBQOSA-N (CID 118663821) is [6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol.

What is the SMILES notation for UGUAYJKLCWYPRF-KRWDZBQOSA-N?

The canonical SMILES for UGUAYJKLCWYPRF-KRWDZBQOSA-N is N[C@@H](CCC(F)(F)F)c1cccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1.

What is the InChIKey of UGUAYJKLCWYPRF-KRWDZBQOSA-N?

The InChIKey is UGUAYJKLCWYPRF-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H20F3N5O/c23-22(24,25)10-9-17(26)19-5-2-4-18(29-19)14-7-8-15-12-27-30(20(15)11-14)21-6-1-3-16(13-31)28-21/h1-8,11-12,17,31H,9-10,13,26H2/t17-/m0/s1.

What are the key properties of UGUAYJKLCWYPRF-KRWDZBQOSA-N?

UGUAYJKLCWYPRF-KRWDZBQOSA-N has a molecular weight of 427.43 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for UGUAYJKLCWYPRF-KRWDZBQOSA-N is sourced from PubChem (CID 118663821), 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 118663821 — identifiers, structure, computed properties (public domain)

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