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

C22H24F2N6O2 — CID 166070769

IUPAC1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one
SMILESCc1nnn(-c2ccc(C(F)F)nc2)c1COc1cc2c(cn1)CN(C(=O)C(C)C)CC2
InChIInChI=1S/C22H24F2N6O2/c1-13(2)22(31)29-7-6-15-8-20(26-9-16(15)11-29)32-12-19-14(3)27-28-30(19)17-4-5-18(21(23)24)25-10-17/h4-5,8-10,13,21H,6-7,11-12H2,1-3H3
InChIKeyZTMVIWWFEMJMRP-UHFFFAOYSA-N
MW442.47 g/mol
LogP3.42
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-methylpropan-1-one

1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one (PubChem CID 166070769) has the molecular formula C22H24F2N6O2 and a molecular weight of 442.47 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-methylpropan-1-one.

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-methylpropan-1-one
PubChem CID166070769
Molecular FormulaC22H24F2N6O2
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC Name1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one
SMILESCc1nnn(-c2ccc(C(F)F)nc2)c1COc1cc2c(cn1)CN(C(=O)C(C)C)CC2
InChIInChI=1S/C22H24F2N6O2/c1-13(2)22(31)29-7-6-15-8-20(26-9-16(15)11-29)32-12-19-14(3)27-28-30(19)17-4-5-18(21(23)24)25-10-17/h4-5,8-10,13,21H,6-7,11-12H2,1-3H3
InChIKeyZTMVIWWFEMJMRP-UHFFFAOYSA-N
XLogP3.42
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 53.42
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-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-methylpropan-1-one?
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-methylpropan-1-one (CID 166070769) is 1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one.
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-methylpropan-1-one?
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-methylpropan-1-one is Cc1nnn(-c2ccc(C(F)F)nc2)c1COc1cc2c(cn1)CN(C(=O)C(C)C)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-methylpropan-1-one?
The InChIKey is ZTMVIWWFEMJMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N6O2/c1-13(2)22(31)29-7-6-15-8-20(26-9-16(15)11-29)32-12-19-14(3)27-28-30(19)17-4-5-18(21(23)24)25-10-17/h4-5,8-10,13,21H,6-7,11-12H2,1-3H3.
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-methylpropan-1-one?
1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one has a molecular weight of 442.47 g/mol, XLogP of 3.42, 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-methylpropan-1-one is sourced from PubChem (CID 166070769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).