UMQQVULWTLZUKQ-AAEUAGOBSA-N

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

C₁₉H₁₉F₃N₆O — CID 139468711

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

IUPACtrans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

SMILESCc1nn(C)c(C)c1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C(F)(F)F)ncc2c(N)n1

InChIInChI=1S/C19H19F3N6O/c1-8-16(9(2)28(3)27-8)14-4-10-5-15(24-7-12(10)17(23)25-14)26-18(29)11-6-13(11)19(20,21)22/h4-5,7,11,13H,6H2,1-3H3,(H2,23,25)(H,24,26,29)/t11-,13-/m0/s1

InChIKeyUMQQVULWTLZUKQ-AAEUAGOBSA-N

MW404.40 g/mol

LogP3.37

Rot. Bonds3

About UMQQVULWTLZUKQ-AAEUAGOBSA-N

UMQQVULWTLZUKQ-AAEUAGOBSA-N (PubChem CID 139468711) has the molecular formula C₁₉H₁₉F₃N₆O and a molecular weight of 404.40 g/mol. Its IUPAC name is trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name	UMQQVULWTLZUKQ-AAEUAGOBSA-N
PubChem CID	139468711
Molecular Formula	C₁₉H₁₉F₃N₆O
Molecular Weight	404.40 g/mol
Exact Mass	404.16
IUPAC Name	trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILES	Cc1nn(C)c(C)c1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C(F)(F)F)ncc2c(N)n1
InChI	InChI=1S/C19H19F3N6O/c1-8-16(9(2)28(3)27-8)14-4-10-5-15(24-7-12(10)17(23)25-14)26-18(29)11-6-13(11)19(20,21)22/h4-5,7,11,13H,6H2,1-3H3,(H2,23,25)(H,24,26,29)/t11-,13-/m0/s1
InChIKey	UMQQVULWTLZUKQ-AAEUAGOBSA-N
XLogP	3.37
TPSA	98.72 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.40
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of UMQQVULWTLZUKQ-AAEUAGOBSA-N?

The IUPAC name of UMQQVULWTLZUKQ-AAEUAGOBSA-N (CID 139468711) is trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.

What is the SMILES notation for UMQQVULWTLZUKQ-AAEUAGOBSA-N?

The canonical SMILES for UMQQVULWTLZUKQ-AAEUAGOBSA-N is Cc1nn(C)c(C)c1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C(F)(F)F)ncc2c(N)n1.

What is the InChIKey of UMQQVULWTLZUKQ-AAEUAGOBSA-N?

The InChIKey is UMQQVULWTLZUKQ-AAEUAGOBSA-N. The full InChI is InChI=1S/C19H19F3N6O/c1-8-16(9(2)28(3)27-8)14-4-10-5-15(24-7-12(10)17(23)25-14)26-18(29)11-6-13(11)19(20,21)22/h4-5,7,11,13H,6H2,1-3H3,(H2,23,25)(H,24,26,29)/t11-,13-/m0/s1.

What are the key properties of UMQQVULWTLZUKQ-AAEUAGOBSA-N?

UMQQVULWTLZUKQ-AAEUAGOBSA-N has a molecular weight of 404.40 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for UMQQVULWTLZUKQ-AAEUAGOBSA-N is sourced from PubChem (CID 139468711), 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 139468711 — identifiers, structure, computed properties (public domain)

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