7-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-1-one

C23H25F2N7O2 — CID 167438776

IUPAC7-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-1-one
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCC3CCNC(=O)C3C2)nn1
InChIInChI=1S/C23H25F2N7O2/c1-14-19(32(30-27-14)17-4-2-16(3-5-17)22(24)25)13-34-21-7-6-20(28-29-21)31-11-9-15-8-10-26-23(33)18(15)12-31/h2-7,15,18,22H,8-13H2,1H3,(H,26,33)
InChIKeyDLYGPZGQPYRXPV-UHFFFAOYSA-N
MW469.50 g/mol
LogP2.84
Rot. Bonds6

About 7-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-1-one

7-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-1-one (PubChem CID 167438776) has the molecular formula C23H25F2N7O2 and a molecular weight of 469.50 g/mol. Its IUPAC name is 7-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name7-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-1-one
PubChem CID167438776
Molecular FormulaC23H25F2N7O2
Molecular Weight469.50 g/mol
Exact Mass469.20
IUPAC Name7-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-1-one
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCC3CCNC(=O)C3C2)nn1
InChIInChI=1S/C23H25F2N7O2/c1-14-19(32(30-27-14)17-4-2-16(3-5-17)22(24)25)13-34-21-7-6-20(28-29-21)31-11-9-15-8-10-26-23(33)18(15)12-31/h2-7,15,18,22H,8-13H2,1H3,(H,26,33)
InChIKeyDLYGPZGQPYRXPV-UHFFFAOYSA-N
XLogP2.84
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-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 7-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-1-one?
The IUPAC name of 7-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-1-one (CID 167438776) is 7-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-1-one.
What is the SMILES notation for 7-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-1-one?
The canonical SMILES for 7-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-1-one is Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCC3CCNC(=O)C3C2)nn1.
What is the InChIKey of 7-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-1-one?
The InChIKey is DLYGPZGQPYRXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N7O2/c1-14-19(32(30-27-14)17-4-2-16(3-5-17)22(24)25)13-34-21-7-6-20(28-29-21)31-11-9-15-8-10-26-23(33)18(15)12-31/h2-7,15,18,22H,8-13H2,1H3,(H,26,33).
What are the key properties of 7-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-1-one?
7-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-1-one has a molecular weight of 469.50 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-1-one is sourced from PubChem (CID 167438776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).