WCLZTGMJAFKQIG-UHFFFAOYSA-N

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

C₂₇H₂₁F₃N₄O₄ — CID 121363755

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

IUPACethyl 2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxylate

SMILESCCOC(=O)c1nc(-c2cccc(CNC(=O)c3ccc4c(c3)OCc3cnccc3-4)c2)[nH]c1C(F)(F)F

InChIInChI=1S/C27H21F3N4O4/c1-2-37-26(36)22-23(27(28,29)30)34-24(33-22)16-5-3-4-15(10-16)12-32-25(35)17-6-7-20-19-8-9-31-13-18(19)14-38-21(20)11-17/h3-11,13H,2,12,14H2,1H3,(H,32,35)(H,33,34)

InChIKeyWCLZTGMJAFKQIG-UHFFFAOYSA-N

MW522.48 g/mol

LogP5.16

Rot. Bonds6

About WCLZTGMJAFKQIG-UHFFFAOYSA-N

WCLZTGMJAFKQIG-UHFFFAOYSA-N (PubChem CID 121363755) has the molecular formula C₂₇H₂₁F₃N₄O₄ and a molecular weight of 522.48 g/mol. Its IUPAC name is ethyl 2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Name	WCLZTGMJAFKQIG-UHFFFAOYSA-N
PubChem CID	121363755
Molecular Formula	C₂₇H₂₁F₃N₄O₄
Molecular Weight	522.48 g/mol
Exact Mass	522.15
IUPAC Name	ethyl 2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxylate
SMILES	CCOC(=O)c1nc(-c2cccc(CNC(=O)c3ccc4c(c3)OCc3cnccc3-4)c2)[nH]c1C(F)(F)F
InChI	InChI=1S/C27H21F3N4O4/c1-2-37-26(36)22-23(27(28,29)30)34-24(33-22)16-5-3-4-15(10-16)12-32-25(35)17-6-7-20-19-8-9-31-13-18(19)14-38-21(20)11-17/h3-11,13H,2,12,14H2,1H3,(H,32,35)(H,33,34)
InChIKey	WCLZTGMJAFKQIG-UHFFFAOYSA-N
XLogP	5.16
TPSA	106.20 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.48
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of WCLZTGMJAFKQIG-UHFFFAOYSA-N (CID 121363755) is ethyl 2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxylate.

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

The canonical SMILES for WCLZTGMJAFKQIG-UHFFFAOYSA-N is CCOC(=O)c1nc(-c2cccc(CNC(=O)c3ccc4c(c3)OCc3cnccc3-4)c2)[nH]c1C(F)(F)F.

What is the InChIKey of WCLZTGMJAFKQIG-UHFFFAOYSA-N?

The InChIKey is WCLZTGMJAFKQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F3N4O4/c1-2-37-26(36)22-23(27(28,29)30)34-24(33-22)16-5-3-4-15(10-16)12-32-25(35)17-6-7-20-19-8-9-31-13-18(19)14-38-21(20)11-17/h3-11,13H,2,12,14H2,1H3,(H,32,35)(H,33,34).

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

WCLZTGMJAFKQIG-UHFFFAOYSA-N has a molecular weight of 522.48 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for WCLZTGMJAFKQIG-UHFFFAOYSA-N is sourced from PubChem (CID 121363755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 121363755 — identifiers, structure, computed properties (public domain)

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