1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-fluoroethanone

C20H19F3N6O2 — CID 166070784

IUPAC1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-fluoroethanone
SMILESCc1nnn(-c2ccc(C(F)F)nc2)c1COc1cc2c(cn1)CN(C(=O)CF)CC2
InChIInChI=1S/C20H19F3N6O2/c1-12-17(29(27-26-12)15-2-3-16(20(22)23)24-9-15)11-31-18-6-13-4-5-28(19(30)7-21)10-14(13)8-25-18/h2-3,6,8-9,20H,4-5,7,10-11H2,1H3
InChIKeyKZBWBBUGLFRJTP-UHFFFAOYSA-N
MW432.41 g/mol
LogP2.74
Rot. Bonds6

About 1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-fluoroethanone

1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-fluoroethanone (PubChem CID 166070784) has the molecular formula C20H19F3N6O2 and a molecular weight of 432.41 g/mol. Its IUPAC name is 1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-fluoroethanone.

Molecular Properties

Compound Name1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-fluoroethanone
PubChem CID166070784
Molecular FormulaC20H19F3N6O2
Molecular Weight432.41 g/mol
Exact Mass432.15
IUPAC Name1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-fluoroethanone
SMILESCc1nnn(-c2ccc(C(F)F)nc2)c1COc1cc2c(cn1)CN(C(=O)CF)CC2
InChIInChI=1S/C20H19F3N6O2/c1-12-17(29(27-26-12)15-2-3-16(20(22)23)24-9-15)11-31-18-6-13-4-5-28(19(30)7-21)10-14(13)8-25-18/h2-3,6,8-9,20H,4-5,7,10-11H2,1H3
InChIKeyKZBWBBUGLFRJTP-UHFFFAOYSA-N
XLogP2.74
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-fluoroethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-fluoroethanone?
The IUPAC name of 1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-fluoroethanone (CID 166070784) is 1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-fluoroethanone.
What is the SMILES notation for 1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-fluoroethanone?
The canonical SMILES for 1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-fluoroethanone is Cc1nnn(-c2ccc(C(F)F)nc2)c1COc1cc2c(cn1)CN(C(=O)CF)CC2.
What is the InChIKey of 1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-fluoroethanone?
The InChIKey is KZBWBBUGLFRJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2/c1-12-17(29(27-26-12)15-2-3-16(20(22)23)24-9-15)11-31-18-6-13-4-5-28(19(30)7-21)10-14(13)8-25-18/h2-3,6,8-9,20H,4-5,7,10-11H2,1H3.
What are the key properties of 1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-fluoroethanone?
1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-fluoroethanone has a molecular weight of 432.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-fluoroethanone is sourced from PubChem (CID 166070784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).