5-chloro-3-fluoro-2-[1-[[(3R)-1-methylpiperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol

C19H22ClFN4O2 — CID 167138185

IUPAC5-chloro-3-fluoro-2-[1-[[(3R)-1-methylpiperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol
SMILESCN1CCC[C@@H](Nc2nnc(-c3c(O)cc(Cl)cc3F)c3c2CCOC3)C1
InChIInChI=1S/C19H22ClFN4O2/c1-25-5-2-3-12(9-25)22-19-13-4-6-27-10-14(13)18(23-24-19)17-15(21)7-11(20)8-16(17)26/h7-8,12,26H,2-6,9-10H2,1H3,(H,22,24)/t12-/m1/s1
InChIKeyMXRLPZNKJOAPDS-GFCCVEGCSA-N
MW392.86 g/mol
LogP3.22
Rot. Bonds3

About 5-chloro-3-fluoro-2-[1-[[(3R)-1-methylpiperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol

5-chloro-3-fluoro-2-[1-[[(3R)-1-methylpiperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol (PubChem CID 167138185) has the molecular formula C19H22ClFN4O2 and a molecular weight of 392.86 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-[1-[[(3R)-1-methylpiperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-[1-[[(3R)-1-methylpiperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol
PubChem CID167138185
Molecular FormulaC19H22ClFN4O2
Molecular Weight392.86 g/mol
Exact Mass392.14
IUPAC Name5-chloro-3-fluoro-2-[1-[[(3R)-1-methylpiperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol
SMILESCN1CCC[C@@H](Nc2nnc(-c3c(O)cc(Cl)cc3F)c3c2CCOC3)C1
InChIInChI=1S/C19H22ClFN4O2/c1-25-5-2-3-12(9-25)22-19-13-4-6-27-10-14(13)18(23-24-19)17-15(21)7-11(20)8-16(17)26/h7-8,12,26H,2-6,9-10H2,1H3,(H,22,24)/t12-/m1/s1
InChIKeyMXRLPZNKJOAPDS-GFCCVEGCSA-N
XLogP3.22
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-3-fluoro-2-[1-[[(3R)-1-methylpiperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol with MolForge

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Launch Full Analysis

Related Compounds

US11208399, Example 70
CID 155284691
US11208399, Example 71
CID 155284657
5-chloro-2-[6-[[(3R)-1-(3,3-difluorocyclobutyl)piperidin-3-yl]amino]-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-3-yl]phenol
CID 177642764
5-chloro-2-[6-[[(3S)-1-methylpiperidin-3-yl]amino]-4-(trifluoromethyl)pyridazin-3-yl]phenol
CID 155284640
5-Chloro-2-[6-[(1-methylpiperidin-3-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]phenol
CID 155284644
5-chloro-3-fluoro-2-[6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
CID 155284741
5-Chloro-3-fluoro-2-[6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]phenol
CID 155284744
5-chloro-3-fluoro-2-[6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
CID 155284824
5-(difluoromethoxy)-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]phenol
CID 166487604
2-[1-[[(1R,2R)-2-aminocyclohexyl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]-5-(trifluoromethyl)phenol
CID 166487646
2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]-5-(trifluoromethoxy)phenol
CID 166487660
2-[1-[[(3R)-1-methylpiperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]-5-(trifluoromethyl)phenol
CID 167137573

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-[1-[[(3R)-1-methylpiperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol?
The IUPAC name of 5-chloro-3-fluoro-2-[1-[[(3R)-1-methylpiperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol (CID 167138185) is 5-chloro-3-fluoro-2-[1-[[(3R)-1-methylpiperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol.
What is the SMILES notation for 5-chloro-3-fluoro-2-[1-[[(3R)-1-methylpiperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol?
The canonical SMILES for 5-chloro-3-fluoro-2-[1-[[(3R)-1-methylpiperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol is CN1CCC[C@@H](Nc2nnc(-c3c(O)cc(Cl)cc3F)c3c2CCOC3)C1.
What is the InChIKey of 5-chloro-3-fluoro-2-[1-[[(3R)-1-methylpiperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol?
The InChIKey is MXRLPZNKJOAPDS-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22ClFN4O2/c1-25-5-2-3-12(9-25)22-19-13-4-6-27-10-14(13)18(23-24-19)17-15(21)7-11(20)8-16(17)26/h7-8,12,26H,2-6,9-10H2,1H3,(H,22,24)/t12-/m1/s1.
What are the key properties of 5-chloro-3-fluoro-2-[1-[[(3R)-1-methylpiperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol?
5-chloro-3-fluoro-2-[1-[[(3R)-1-methylpiperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol has a molecular weight of 392.86 g/mol, XLogP of 3.22, 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-[1-[[(3R)-1-methylpiperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol is sourced from PubChem (CID 167138185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).