KNDLPPIRCZYSKM-UHFFFAOYSA-N

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

C₂₃H₂₀F₃N₅O — CID 118872339

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

IUPAC(6-imidazol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

SMILESO=C(c1cc2ncc(-n3ccnc3)cc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1

InChIInChI=1S/C23H20F3N5O/c24-23(25,26)18-4-2-1-3-17(18)15-5-8-30(9-6-15)22(32)21-12-19-20(29-21)11-16(13-28-19)31-10-7-27-14-31/h1-4,7,10-15,29H,5-6,8-9H2

InChIKeyKNDLPPIRCZYSKM-UHFFFAOYSA-N

MW439.44 g/mol

LogP4.79

Rot. Bonds3

About KNDLPPIRCZYSKM-UHFFFAOYSA-N

KNDLPPIRCZYSKM-UHFFFAOYSA-N (PubChem CID 118872339) has the molecular formula C₂₃H₂₀F₃N₅O and a molecular weight of 439.44 g/mol. Its IUPAC name is (6-imidazol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name	KNDLPPIRCZYSKM-UHFFFAOYSA-N
PubChem CID	118872339
Molecular Formula	C₂₃H₂₀F₃N₅O
Molecular Weight	439.44 g/mol
Exact Mass	439.16
IUPAC Name	(6-imidazol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILES	O=C(c1cc2ncc(-n3ccnc3)cc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1
InChI	InChI=1S/C23H20F3N5O/c24-23(25,26)18-4-2-1-3-17(18)15-5-8-30(9-6-15)22(32)21-12-19-20(29-21)11-16(13-28-19)31-10-7-27-14-31/h1-4,7,10-15,29H,5-6,8-9H2
InChIKey	KNDLPPIRCZYSKM-UHFFFAOYSA-N
XLogP	4.79
TPSA	66.81 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.44
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of KNDLPPIRCZYSKM-UHFFFAOYSA-N (CID 118872339) is (6-imidazol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

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

The canonical SMILES for KNDLPPIRCZYSKM-UHFFFAOYSA-N is O=C(c1cc2ncc(-n3ccnc3)cc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1.

What is the InChIKey of KNDLPPIRCZYSKM-UHFFFAOYSA-N?

The InChIKey is KNDLPPIRCZYSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O/c24-23(25,26)18-4-2-1-3-17(18)15-5-8-30(9-6-15)22(32)21-12-19-20(29-21)11-16(13-28-19)31-10-7-27-14-31/h1-4,7,10-15,29H,5-6,8-9H2.

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

KNDLPPIRCZYSKM-UHFFFAOYSA-N has a molecular weight of 439.44 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for KNDLPPIRCZYSKM-UHFFFAOYSA-N is sourced from PubChem (CID 118872339), 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 118872339 — identifiers, structure, computed properties (public domain)

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