NHWGHJUHFDUWQN-UHFFFAOYSA-N

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

C₂₀H₁₉F₃N₄ — CID 57459517

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

IUPAC2-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline

SMILESFC(F)(F)c1c(N2CCc3ccccc3C2)ccn2c(CC3CC3)nnc12

InChIInChI=1S/C20H19F3N4/c21-20(22,23)18-16(26-9-7-14-3-1-2-4-15(14)12-26)8-10-27-17(11-13-5-6-13)24-25-19(18)27/h1-4,8,10,13H,5-7,9,11-12H2

InChIKeyNHWGHJUHFDUWQN-UHFFFAOYSA-N

MW372.39 g/mol

LogP4.26

Rot. Bonds3

About NHWGHJUHFDUWQN-UHFFFAOYSA-N

NHWGHJUHFDUWQN-UHFFFAOYSA-N (PubChem CID 57459517) has the molecular formula C₂₀H₁₉F₃N₄ and a molecular weight of 372.39 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name	NHWGHJUHFDUWQN-UHFFFAOYSA-N
PubChem CID	57459517
Molecular Formula	C₂₀H₁₉F₃N₄
Molecular Weight	372.39 g/mol
Exact Mass	372.16
IUPAC Name	2-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline
SMILES	FC(F)(F)c1c(N2CCc3ccccc3C2)ccn2c(CC3CC3)nnc12
InChI	InChI=1S/C20H19F3N4/c21-20(22,23)18-16(26-9-7-14-3-1-2-4-15(14)12-26)8-10-27-17(11-13-5-6-13)24-25-19(18)27/h1-4,8,10,13H,5-7,9,11-12H2
InChIKey	NHWGHJUHFDUWQN-UHFFFAOYSA-N
XLogP	4.26
TPSA	33.43 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.39
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of NHWGHJUHFDUWQN-UHFFFAOYSA-N (CID 57459517) is 2-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline.

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

The canonical SMILES for NHWGHJUHFDUWQN-UHFFFAOYSA-N is FC(F)(F)c1c(N2CCc3ccccc3C2)ccn2c(CC3CC3)nnc12.

What is the InChIKey of NHWGHJUHFDUWQN-UHFFFAOYSA-N?

The InChIKey is NHWGHJUHFDUWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4/c21-20(22,23)18-16(26-9-7-14-3-1-2-4-15(14)12-26)8-10-27-17(11-13-5-6-13)24-25-19(18)27/h1-4,8,10,13H,5-7,9,11-12H2.

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

NHWGHJUHFDUWQN-UHFFFAOYSA-N has a molecular weight of 372.39 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for NHWGHJUHFDUWQN-UHFFFAOYSA-N is sourced from PubChem (CID 57459517), 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 57459517 — identifiers, structure, computed properties (public domain)

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