5-chloro-3-fluoro-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-5,7-dihydrofuro[3,4-d]pyridazin-1-yl]phenol

C18H20ClFN4O2 — CID 167137825

IUPAC5-chloro-3-fluoro-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-5,7-dihydrofuro[3,4-d]pyridazin-1-yl]phenol
SMILESCN1CCC[C@@H](Nc2nnc(-c3c(O)cc(Cl)cc3F)c3c2COC3)C1
InChIInChI=1S/C18H20ClFN4O2/c1-24-4-2-3-11(7-24)21-18-13-9-26-8-12(13)17(22-23-18)16-14(20)5-10(19)6-15(16)25/h5-6,11,25H,2-4,7-9H2,1H3,(H,21,23)/t11-/m1/s1
InChIKeySFXXJCYFYMKKPF-LLVKDONJSA-N
MW378.84 g/mol
LogP3.18
Rot. Bonds3

About 5-chloro-3-fluoro-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-5,7-dihydrofuro[3,4-d]pyridazin-1-yl]phenol

5-chloro-3-fluoro-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-5,7-dihydrofuro[3,4-d]pyridazin-1-yl]phenol (PubChem CID 167137825) has the molecular formula C18H20ClFN4O2 and a molecular weight of 378.84 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-5,7-dihydrofuro[3,4-d]pyridazin-1-yl]phenol.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-5,7-dihydrofuro[3,4-d]pyridazin-1-yl]phenol
PubChem CID167137825
Molecular FormulaC18H20ClFN4O2
Molecular Weight378.84 g/mol
Exact Mass378.13
IUPAC Name5-chloro-3-fluoro-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-5,7-dihydrofuro[3,4-d]pyridazin-1-yl]phenol
SMILESCN1CCC[C@@H](Nc2nnc(-c3c(O)cc(Cl)cc3F)c3c2COC3)C1
InChIInChI=1S/C18H20ClFN4O2/c1-24-4-2-3-11(7-24)21-18-13-9-26-8-12(13)17(22-23-18)16-14(20)5-10(19)6-15(16)25/h5-6,11,25H,2-4,7-9H2,1H3,(H,21,23)/t11-/m1/s1
InChIKeySFXXJCYFYMKKPF-LLVKDONJSA-N
XLogP3.18
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-3-fluoro-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-5,7-dihydrofuro[3,4-d]pyridazin-1-yl]phenol 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 5-chloro-3-fluoro-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-5,7-dihydrofuro[3,4-d]pyridazin-1-yl]phenol?
The IUPAC name of 5-chloro-3-fluoro-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-5,7-dihydrofuro[3,4-d]pyridazin-1-yl]phenol (CID 167137825) is 5-chloro-3-fluoro-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-5,7-dihydrofuro[3,4-d]pyridazin-1-yl]phenol.
What is the SMILES notation for 5-chloro-3-fluoro-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-5,7-dihydrofuro[3,4-d]pyridazin-1-yl]phenol?
The canonical SMILES for 5-chloro-3-fluoro-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-5,7-dihydrofuro[3,4-d]pyridazin-1-yl]phenol is CN1CCC[C@@H](Nc2nnc(-c3c(O)cc(Cl)cc3F)c3c2COC3)C1.
What is the InChIKey of 5-chloro-3-fluoro-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-5,7-dihydrofuro[3,4-d]pyridazin-1-yl]phenol?
The InChIKey is SFXXJCYFYMKKPF-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20ClFN4O2/c1-24-4-2-3-11(7-24)21-18-13-9-26-8-12(13)17(22-23-18)16-14(20)5-10(19)6-15(16)25/h5-6,11,25H,2-4,7-9H2,1H3,(H,21,23)/t11-/m1/s1.
What are the key properties of 5-chloro-3-fluoro-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-5,7-dihydrofuro[3,4-d]pyridazin-1-yl]phenol?
5-chloro-3-fluoro-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-5,7-dihydrofuro[3,4-d]pyridazin-1-yl]phenol has a molecular weight of 378.84 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-5,7-dihydrofuro[3,4-d]pyridazin-1-yl]phenol is sourced from PubChem (CID 167137825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).