6-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one

C20H21F3N6O2 — CID 24735363

IUPAC6-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one
SMILESCOc1ccnc(N2CCN(CCn3ccc4nc(C(F)(F)F)ccc4c3=O)CC2)n1
InChIInChI=1S/C20H21F3N6O2/c1-31-17-4-6-24-19(26-17)29-12-9-27(10-13-29)8-11-28-7-5-15-14(18(28)30)2-3-16(25-15)20(21,22)23/h2-7H,8-13H2,1H3
InChIKeyBACMPWBGNVVYTA-UHFFFAOYSA-N
MW434.42 g/mol
LogP2.04
Rot. Bonds5

About 6-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one

6-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one (PubChem CID 24735363) has the molecular formula C20H21F3N6O2 and a molecular weight of 434.42 g/mol. Its IUPAC name is 6-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one
PubChem CID24735363
Molecular FormulaC20H21F3N6O2
Molecular Weight434.42 g/mol
Exact Mass434.17
IUPAC Name6-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one
SMILESCOc1ccnc(N2CCN(CCn3ccc4nc(C(F)(F)F)ccc4c3=O)CC2)n1
InChIInChI=1S/C20H21F3N6O2/c1-31-17-4-6-24-19(26-17)29-12-9-27(10-13-29)8-11-28-7-5-15-14(18(28)30)2-3-16(25-15)20(21,22)23/h2-7H,8-13H2,1H3
InChIKeyBACMPWBGNVVYTA-UHFFFAOYSA-N
XLogP2.04
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one with MolForge

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Related Compounds

[3-[6-[(4-Methoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 118725469
Piperazine, 1-(2,6-dimethoxy-4-pyrimidinyl)-4-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)-
CID 3055245
N-(2-((4,6-dimethylpyrimidin-2-yl)(methyl)amino)ethyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)nicotinamide
CID 121416837
N-{2-[(4,6-dimethylpyrimidin-2-yl)(methyl)amino]ethyl}-N-ethyl-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 121416897
2-(2,2-difluoroethoxy)-N-(2-((4,6-dimethylpyrimidin-2-yl)(methyl)amino)ethyl)-N-ethylnicotinamide
CID 121427020
[4-[(3,5-Difluorophenyl)methyl]-4-fluoropiperidin-1-yl]-(2-pyrimidin-4-yl-3-pyridinyl)methanone
CID 163385695
[4-[(2,4-Difluorophenyl)methyl]-4-fluoropiperidin-1-yl]-(2-pyrimidin-4-yl-3-pyridinyl)methanone
CID 163385894
(3-Fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 22617927
US11377438, Example 2
CID 146526012
[4-(4-Ethoxypyrimidin-2-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 53579352
[4-(4-Ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 53586150
1-[4-(4-Ethoxypyrimidin-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 53588493

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one?
The IUPAC name of 6-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one (CID 24735363) is 6-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one is COc1ccnc(N2CCN(CCn3ccc4nc(C(F)(F)F)ccc4c3=O)CC2)n1.
What is the InChIKey of 6-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one?
The InChIKey is BACMPWBGNVVYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O2/c1-31-17-4-6-24-19(26-17)29-12-9-27(10-13-29)8-11-28-7-5-15-14(18(28)30)2-3-16(25-15)20(21,22)23/h2-7H,8-13H2,1H3.
What are the key properties of 6-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one?
6-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one has a molecular weight of 434.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one is sourced from PubChem (CID 24735363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).