5-fluoro-2-[1-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-4-yl]phenol

C19H19FN4O2 — CID 167292900

IUPAC5-fluoro-2-[1-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-4-yl]phenol
SMILESOc1cc(F)ccc1-c1nnc(N[C@@H]2CCCC[C@H]2O)c2ccncc12
InChIInChI=1S/C19H19FN4O2/c20-11-5-6-13(17(26)9-11)18-14-10-21-8-7-12(14)19(24-23-18)22-15-3-1-2-4-16(15)25/h5-10,15-16,25-26H,1-4H2,(H,22,24)/t15-,16-/m1/s1
InChIKeyVXVYLZKFAPIIEW-HZPDHXFCSA-N
MW354.39 g/mol
LogP3.25
Rot. Bonds3

About 5-fluoro-2-[1-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-4-yl]phenol

5-fluoro-2-[1-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-4-yl]phenol (PubChem CID 167292900) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 5-fluoro-2-[1-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-4-yl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-4-yl]phenol
PubChem CID167292900
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name5-fluoro-2-[1-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-4-yl]phenol
SMILESOc1cc(F)ccc1-c1nnc(N[C@@H]2CCCC[C@H]2O)c2ccncc12
InChIInChI=1S/C19H19FN4O2/c20-11-5-6-13(17(26)9-11)18-14-10-21-8-7-12(14)19(24-23-18)22-15-3-1-2-4-16(15)25/h5-10,15-16,25-26H,1-4H2,(H,22,24)/t15-,16-/m1/s1
InChIKeyVXVYLZKFAPIIEW-HZPDHXFCSA-N
XLogP3.25
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-2-[1-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-4-yl]phenol with MolForge

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Related Compounds

(1S,2R,3S)-3-[[1-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-yl]amino]cyclohexane-1,2-diol
CID 174307424
2-[4-[[(1S,2S)-2-hydroxycyclohexyl]amino]phthalazin-1-yl]-5-(trifluoromethyl)phenol
CID 167292905
(1S)-2-[[4-[2-hydroxy-4-(trifluoromethyl)phenyl]phthalazin-1-yl]amino]cycloheptan-1-ol
CID 175538440
5-chloro-2-[4-[[(1R,2R)-3-(2,2-difluoroethylidene)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol
CID 171829531
2-[4-[(2-hydroxycyclohexyl)methylamino]pyrido[3,4-d]pyridazin-1-yl]-5-(trifluoromethyl)phenol
CID 177308731
2-[1-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[3,4-d]pyridazin-4-yl]-5-(trifluoromethyl)phenol
CID 166518693
2-[4-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1-methylpyrazolo[4,5-d]pyridazin-7-yl]-5-(trifluoromethyl)phenol
CID 171783144
5-chloro-2-[4-(oxolan-3-ylamino)pyrido[3,4-d]pyridazin-1-yl]phenol
CID 171553769
2-[4-[(2-hydroxycyclohexyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl]-5-(trifluoromethyl)phenol
CID 170259223
2-[1-[[(3R)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyrido[3,4-d]pyridazin-4-yl]-5-(trifluoromethyl)phenol
CID 171852750
2-[4-[[(3R)-oxan-3-yl]amino]pyrido[3,4-d]pyridazin-1-yl]-5-(trifluoromethyl)phenol
CID 171852478
2-[4-[[(1S,5R)-3-oxabicyclo[3.2.1]octan-8-yl]amino]pyrido[3,4-d]pyridazin-1-yl]-5-(trifluoromethyl)phenol
CID 171553788

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-4-yl]phenol?
The IUPAC name of 5-fluoro-2-[1-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-4-yl]phenol (CID 167292900) is 5-fluoro-2-[1-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-4-yl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-4-yl]phenol?
The canonical SMILES for 5-fluoro-2-[1-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-4-yl]phenol is Oc1cc(F)ccc1-c1nnc(N[C@@H]2CCCC[C@H]2O)c2ccncc12.
What is the InChIKey of 5-fluoro-2-[1-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-4-yl]phenol?
The InChIKey is VXVYLZKFAPIIEW-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-11-5-6-13(17(26)9-11)18-14-10-21-8-7-12(14)19(24-23-18)22-15-3-1-2-4-16(15)25/h5-10,15-16,25-26H,1-4H2,(H,22,24)/t15-,16-/m1/s1.
What are the key properties of 5-fluoro-2-[1-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-4-yl]phenol?
5-fluoro-2-[1-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-4-yl]phenol has a molecular weight of 354.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[[(1R,2R)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-4-yl]phenol is sourced from PubChem (CID 167292900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).