ZAVFYOMTOZJUHA-UHFFFAOYSA-N

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

C₂₂H₁₉F₃N₆O₃ — CID 152617534

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

IUPAC2-[3-[5-amino-6-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide

SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(C(=O)N2CCc3cccnc32)n1

InChIInChI=1S/C22H19F3N6O3/c1-11-4-5-13(21(34,20(27)33)22(23,24)25)9-14(11)15-10-29-17(26)16(30-15)19(32)31-8-6-12-3-2-7-28-18(12)31/h2-5,7,9-10,34H,6,8H2,1H3,(H2,26,29)(H2,27,33)

InChIKeyZAVFYOMTOZJUHA-UHFFFAOYSA-N

MW472.43 g/mol

LogP1.87

Rot. Bonds4

About ZAVFYOMTOZJUHA-UHFFFAOYSA-N

ZAVFYOMTOZJUHA-UHFFFAOYSA-N (PubChem CID 152617534) has the molecular formula C₂₂H₁₉F₃N₆O₃ and a molecular weight of 472.43 g/mol. Its IUPAC name is 2-[3-[5-amino-6-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

Compound Name	ZAVFYOMTOZJUHA-UHFFFAOYSA-N
PubChem CID	152617534
Molecular Formula	C₂₂H₁₉F₃N₆O₃
Molecular Weight	472.43 g/mol
Exact Mass	472.15
IUPAC Name	2-[3-[5-amino-6-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILES	Cc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(C(=O)N2CCc3cccnc32)n1
InChI	InChI=1S/C22H19F3N6O3/c1-11-4-5-13(21(34,20(27)33)22(23,24)25)9-14(11)15-10-29-17(26)16(30-15)19(32)31-8-6-12-3-2-7-28-18(12)31/h2-5,7,9-10,34H,6,8H2,1H3,(H2,26,29)(H2,27,33)
InChIKey	ZAVFYOMTOZJUHA-UHFFFAOYSA-N
XLogP	1.87
TPSA	148.32 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	4
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.43
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ZAVFYOMTOZJUHA-UHFFFAOYSA-N (CID 152617534) is 2-[3-[5-amino-6-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.

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

The canonical SMILES for ZAVFYOMTOZJUHA-UHFFFAOYSA-N is Cc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(C(=O)N2CCc3cccnc32)n1.

What is the InChIKey of ZAVFYOMTOZJUHA-UHFFFAOYSA-N?

The InChIKey is ZAVFYOMTOZJUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O3/c1-11-4-5-13(21(34,20(27)33)22(23,24)25)9-14(11)15-10-29-17(26)16(30-15)19(32)31-8-6-12-3-2-7-28-18(12)31/h2-5,7,9-10,34H,6,8H2,1H3,(H2,26,29)(H2,27,33).

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

ZAVFYOMTOZJUHA-UHFFFAOYSA-N has a molecular weight of 472.43 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ZAVFYOMTOZJUHA-UHFFFAOYSA-N is sourced from PubChem (CID 152617534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 152617534 — identifiers, structure, computed properties (public domain)

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