YVTNWQDZQIZZKI-UHFFFAOYSA-N

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

C₂₁H₁₉F₃N₆O₃ — CID 152592478

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

IUPAC5-[3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]pyrazin-2-yl]-N-methylpyridine-2-carboxamide

SMILESCNC(=O)c1ccc(-c2nc(-c3cc(C(O)(C(N)=O)C(F)(F)F)ccc3C)cnc2N)cn1

InChIInChI=1S/C21H19F3N6O3/c1-10-3-5-12(20(33,19(26)32)21(22,23)24)7-13(10)15-9-29-17(25)16(30-15)11-4-6-14(28-8-11)18(31)27-2/h3-9,33H,1-2H3,(H2,25,29)(H2,26,32)(H,27,31)

InChIKeyYVTNWQDZQIZZKI-UHFFFAOYSA-N

MW460.42 g/mol

LogP1.69

Rot. Bonds5

About YVTNWQDZQIZZKI-UHFFFAOYSA-N

YVTNWQDZQIZZKI-UHFFFAOYSA-N (PubChem CID 152592478) has the molecular formula C₂₁H₁₉F₃N₆O₃ and a molecular weight of 460.42 g/mol. Its IUPAC name is 5-[3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]pyrazin-2-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name	YVTNWQDZQIZZKI-UHFFFAOYSA-N
PubChem CID	152592478
Molecular Formula	C₂₁H₁₉F₃N₆O₃
Molecular Weight	460.42 g/mol
Exact Mass	460.15
IUPAC Name	5-[3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]pyrazin-2-yl]-N-methylpyridine-2-carboxamide
SMILES	CNC(=O)c1ccc(-c2nc(-c3cc(C(O)(C(N)=O)C(F)(F)F)ccc3C)cnc2N)cn1
InChI	InChI=1S/C21H19F3N6O3/c1-10-3-5-12(20(33,19(26)32)21(22,23)24)7-13(10)15-9-29-17(25)16(30-15)11-4-6-14(28-8-11)18(31)27-2/h3-9,33H,1-2H3,(H2,25,29)(H2,26,32)(H,27,31)
InChIKey	YVTNWQDZQIZZKI-UHFFFAOYSA-N
XLogP	1.69
TPSA	157.11 Å²
H-Bond Donors	4
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.42
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of YVTNWQDZQIZZKI-UHFFFAOYSA-N (CID 152592478) is 5-[3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]pyrazin-2-yl]-N-methylpyridine-2-carboxamide.

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

The canonical SMILES for YVTNWQDZQIZZKI-UHFFFAOYSA-N is CNC(=O)c1ccc(-c2nc(-c3cc(C(O)(C(N)=O)C(F)(F)F)ccc3C)cnc2N)cn1.

What is the InChIKey of YVTNWQDZQIZZKI-UHFFFAOYSA-N?

The InChIKey is YVTNWQDZQIZZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O3/c1-10-3-5-12(20(33,19(26)32)21(22,23)24)7-13(10)15-9-29-17(25)16(30-15)11-4-6-14(28-8-11)18(31)27-2/h3-9,33H,1-2H3,(H2,25,29)(H2,26,32)(H,27,31).

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

YVTNWQDZQIZZKI-UHFFFAOYSA-N has a molecular weight of 460.42 g/mol, XLogP of 1.69, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for YVTNWQDZQIZZKI-UHFFFAOYSA-N is sourced from PubChem (CID 152592478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 152592478 — identifiers, structure, computed properties (public domain)

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