HFKJAROZGKLNNV-UHFFFAOYSA-N

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

C₂₂H₂₁ClF₃N₅O₂ — CID 122458431

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

IUPAC1-(1-acetylpiperidin-4-yl)-4-chloro-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide

SMILESCC(=O)N1CCC(n2nc(C)c3c(Cl)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)CC1

InChIInChI=1S/C22H21ClF3N5O2/c1-12-18-19(23)17(21(33)28-15-5-3-14(4-6-15)22(24,25)26)11-27-20(18)31(29-12)16-7-9-30(10-8-16)13(2)32/h3-6,11,16H,7-10H2,1-2H3,(H,28,33)

InChIKeyHFKJAROZGKLNNV-UHFFFAOYSA-N

MW479.89 g/mol

LogP4.85

Rot. Bonds3

About HFKJAROZGKLNNV-UHFFFAOYSA-N

HFKJAROZGKLNNV-UHFFFAOYSA-N (PubChem CID 122458431) has the molecular formula C₂₂H₂₁ClF₃N₅O₂ and a molecular weight of 479.89 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-4-chloro-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name	HFKJAROZGKLNNV-UHFFFAOYSA-N
PubChem CID	122458431
Molecular Formula	C₂₂H₂₁ClF₃N₅O₂
Molecular Weight	479.89 g/mol
Exact Mass	479.13
IUPAC Name	1-(1-acetylpiperidin-4-yl)-4-chloro-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILES	CC(=O)N1CCC(n2nc(C)c3c(Cl)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)CC1
InChI	InChI=1S/C22H21ClF3N5O2/c1-12-18-19(23)17(21(33)28-15-5-3-14(4-6-15)22(24,25)26)11-27-20(18)31(29-12)16-7-9-30(10-8-16)13(2)32/h3-6,11,16H,7-10H2,1-2H3,(H,28,33)
InChIKey	HFKJAROZGKLNNV-UHFFFAOYSA-N
XLogP	4.85
TPSA	80.12 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	3
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.89
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of HFKJAROZGKLNNV-UHFFFAOYSA-N (CID 122458431) is 1-(1-acetylpiperidin-4-yl)-4-chloro-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

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

The canonical SMILES for HFKJAROZGKLNNV-UHFFFAOYSA-N is CC(=O)N1CCC(n2nc(C)c3c(Cl)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)CC1.

What is the InChIKey of HFKJAROZGKLNNV-UHFFFAOYSA-N?

The InChIKey is HFKJAROZGKLNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF3N5O2/c1-12-18-19(23)17(21(33)28-15-5-3-14(4-6-15)22(24,25)26)11-27-20(18)31(29-12)16-7-9-30(10-8-16)13(2)32/h3-6,11,16H,7-10H2,1-2H3,(H,28,33).

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

HFKJAROZGKLNNV-UHFFFAOYSA-N has a molecular weight of 479.89 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for HFKJAROZGKLNNV-UHFFFAOYSA-N is sourced from PubChem (CID 122458431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 122458431 — identifiers, structure, computed properties (public domain)

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