ZKAMGGLGKDIJQY-UHFFFAOYSA-N

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

C₂₅H₂₆F₃N₅O₂ — CID 154513888

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

IUPAC1-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide

SMILESNC(=O)c1ccc2[nH]c3c(c2c1)C(C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1)NCC3

InChIInChI=1S/C25H26F3N5O2/c26-25(27,28)16-2-4-17(5-3-16)31-24(35)33-11-8-14(9-12-33)22-21-18-13-15(23(29)34)1-6-19(18)32-20(21)7-10-30-22/h1-6,13-14,22,30,32H,7-12H2,(H2,29,34)(H,31,35)

InChIKeyZKAMGGLGKDIJQY-UHFFFAOYSA-N

MW485.51 g/mol

LogP4.42

Rot. Bonds3

About ZKAMGGLGKDIJQY-UHFFFAOYSA-N

ZKAMGGLGKDIJQY-UHFFFAOYSA-N (PubChem CID 154513888) has the molecular formula C₂₅H₂₆F₃N₅O₂ and a molecular weight of 485.51 g/mol. Its IUPAC name is 1-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide.

Molecular Properties

Compound Name	ZKAMGGLGKDIJQY-UHFFFAOYSA-N
PubChem CID	154513888
Molecular Formula	C₂₅H₂₆F₃N₅O₂
Molecular Weight	485.51 g/mol
Exact Mass	485.20
IUPAC Name	1-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide
SMILES	NC(=O)c1ccc2[nH]c3c(c2c1)C(C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1)NCC3
InChI	InChI=1S/C25H26F3N5O2/c26-25(27,28)16-2-4-17(5-3-16)31-24(35)33-11-8-14(9-12-33)22-21-18-13-15(23(29)34)1-6-19(18)32-20(21)7-10-30-22/h1-6,13-14,22,30,32H,7-12H2,(H2,29,34)(H,31,35)
InChIKey	ZKAMGGLGKDIJQY-UHFFFAOYSA-N
XLogP	4.42
TPSA	103.25 Å²
H-Bond Donors	4
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.51
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of ZKAMGGLGKDIJQY-UHFFFAOYSA-N (CID 154513888) is 1-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide.

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

The canonical SMILES for ZKAMGGLGKDIJQY-UHFFFAOYSA-N is NC(=O)c1ccc2[nH]c3c(c2c1)C(C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1)NCC3.

What is the InChIKey of ZKAMGGLGKDIJQY-UHFFFAOYSA-N?

The InChIKey is ZKAMGGLGKDIJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c26-25(27,28)16-2-4-17(5-3-16)31-24(35)33-11-8-14(9-12-33)22-21-18-13-15(23(29)34)1-6-19(18)32-20(21)7-10-30-22/h1-6,13-14,22,30,32H,7-12H2,(H2,29,34)(H,31,35).

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

ZKAMGGLGKDIJQY-UHFFFAOYSA-N has a molecular weight of 485.51 g/mol, XLogP of 4.42, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ZKAMGGLGKDIJQY-UHFFFAOYSA-N is sourced from PubChem (CID 154513888), 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 154513888 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.