6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-one

C24H22F3N5O2 — CID 11612491

IUPAC6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-one
SMILESCN(C)[C@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(C(F)(F)F)cc5)oc4c3=O)cn2)C1
InChIInChI=1S/C24H22F3N5O2/c1-30(2)19-9-10-31(14-19)21-8-7-18(13-28-21)32-23(33)22-16(12-29-32)11-20(34-22)15-3-5-17(6-4-15)24(25,26)27/h3-8,11-13,19H,9-10,14H2,1-2H3/t19-/m0/s1
InChIKeyLCLZDLHNBUWRJC-IBGZPJMESA-N
MW469.47 g/mol
LogP4.20
Rot. Bonds4

About 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-one

6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-one (PubChem CID 11612491) has the molecular formula C24H22F3N5O2 and a molecular weight of 469.47 g/mol. Its IUPAC name is 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-one.

Molecular Properties

Compound Name6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-one
PubChem CID11612491
Molecular FormulaC24H22F3N5O2
Molecular Weight469.47 g/mol
Exact Mass469.17
IUPAC Name6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-one
SMILESCN(C)[C@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(C(F)(F)F)cc5)oc4c3=O)cn2)C1
InChIInChI=1S/C24H22F3N5O2/c1-30(2)19-9-10-31(14-19)21-8-7-18(13-28-21)32-23(33)22-16(12-29-32)11-20(34-22)15-3-5-17(6-4-15)24(25,26)27/h3-8,11-13,19H,9-10,14H2,1-2H3/t19-/m0/s1
InChIKeyLCLZDLHNBUWRJC-IBGZPJMESA-N
XLogP4.20
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-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 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-one?
The IUPAC name of 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-one (CID 11612491) is 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-one.
What is the SMILES notation for 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-one?
The canonical SMILES for 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-one is CN(C)[C@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(C(F)(F)F)cc5)oc4c3=O)cn2)C1.
What is the InChIKey of 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-one?
The InChIKey is LCLZDLHNBUWRJC-IBGZPJMESA-N. The full InChI is InChI=1S/C24H22F3N5O2/c1-30(2)19-9-10-31(14-19)21-8-7-18(13-28-21)32-23(33)22-16(12-29-32)11-20(34-22)15-3-5-17(6-4-15)24(25,26)27/h3-8,11-13,19H,9-10,14H2,1-2H3/t19-/m0/s1.
What are the key properties of 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-one?
6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-one has a molecular weight of 469.47 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-one is sourced from PubChem (CID 11612491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).