VCGTXINEJSPRPB-LLVKDONJSA-N

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

C₂₀H₁₈F₃N₇O — CID 118869517

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

IUPAC(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-2-yl]morpholine

SMILESC[C@@H]1COCCN1c1cc(-c2cn[nH]c2C(F)(F)F)c2ccnc(-c3ccn[nH]3)c2n1

InChIInChI=1S/C20H18F3N7O/c1-11-10-31-7-6-30(11)16-8-13(14-9-26-29-19(14)20(21,22)23)12-2-4-24-18(17(12)27-16)15-3-5-25-28-15/h2-5,8-9,11H,6-7,10H2,1H3,(H,25,28)(H,26,29)/t11-/m1/s1

InChIKeyVCGTXINEJSPRPB-LLVKDONJSA-N

MW429.41 g/mol

LogP3.65

Rot. Bonds3

About VCGTXINEJSPRPB-LLVKDONJSA-N

VCGTXINEJSPRPB-LLVKDONJSA-N (PubChem CID 118869517) has the molecular formula C₂₀H₁₈F₃N₇O and a molecular weight of 429.41 g/mol. Its IUPAC name is (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name	VCGTXINEJSPRPB-LLVKDONJSA-N
PubChem CID	118869517
Molecular Formula	C₂₀H₁₈F₃N₇O
Molecular Weight	429.41 g/mol
Exact Mass	429.15
IUPAC Name	(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-2-yl]morpholine
SMILES	C[C@@H]1COCCN1c1cc(-c2cn[nH]c2C(F)(F)F)c2ccnc(-c3ccn[nH]3)c2n1
InChI	InChI=1S/C20H18F3N7O/c1-11-10-31-7-6-30(11)16-8-13(14-9-26-29-19(14)20(21,22)23)12-2-4-24-18(17(12)27-16)15-3-5-25-28-15/h2-5,8-9,11H,6-7,10H2,1H3,(H,25,28)(H,26,29)/t11-/m1/s1
InChIKey	VCGTXINEJSPRPB-LLVKDONJSA-N
XLogP	3.65
TPSA	95.61 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.41
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of VCGTXINEJSPRPB-LLVKDONJSA-N?

The IUPAC name of VCGTXINEJSPRPB-LLVKDONJSA-N (CID 118869517) is (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-2-yl]morpholine.

What is the SMILES notation for VCGTXINEJSPRPB-LLVKDONJSA-N?

The canonical SMILES for VCGTXINEJSPRPB-LLVKDONJSA-N is C[C@@H]1COCCN1c1cc(-c2cn[nH]c2C(F)(F)F)c2ccnc(-c3ccn[nH]3)c2n1.

What is the InChIKey of VCGTXINEJSPRPB-LLVKDONJSA-N?

The InChIKey is VCGTXINEJSPRPB-LLVKDONJSA-N. The full InChI is InChI=1S/C20H18F3N7O/c1-11-10-31-7-6-30(11)16-8-13(14-9-26-29-19(14)20(21,22)23)12-2-4-24-18(17(12)27-16)15-3-5-25-28-15/h2-5,8-9,11H,6-7,10H2,1H3,(H,25,28)(H,26,29)/t11-/m1/s1.

What are the key properties of VCGTXINEJSPRPB-LLVKDONJSA-N?

VCGTXINEJSPRPB-LLVKDONJSA-N has a molecular weight of 429.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for VCGTXINEJSPRPB-LLVKDONJSA-N is sourced from PubChem (CID 118869517), 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 118869517 — identifiers, structure, computed properties (public domain)

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