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

C19H22F2N4O3 — CID 166487645

IUPAC5-(difluoromethoxy)-2-[4-[[(3R)-piperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]phenol
SMILESOc1cc(OC(F)F)ccc1-c1nnc(N[C@@H]2CCCNC2)c2c1CCOC2
InChIInChI=1S/C19H22F2N4O3/c20-19(21)28-12-3-4-14(16(26)8-12)17-13-5-7-27-10-15(13)18(25-24-17)23-11-2-1-6-22-9-11/h3-4,8,11,19,22,26H,1-2,5-7,9-10H2,(H,23,25)/t11-/m1/s1
InChIKeyGESQFFSNXVZEGG-LLVKDONJSA-N
MW392.41 g/mol
LogP2.69
Rot. Bonds5

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

5-(difluoromethoxy)-2-[4-[[(3R)-piperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]phenol (PubChem CID 166487645) has the molecular formula C19H22F2N4O3 and a molecular weight of 392.41 g/mol. Its IUPAC name is 5-(difluoromethoxy)-2-[4-[[(3R)-piperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]phenol.

Molecular Properties

Compound Name5-(difluoromethoxy)-2-[4-[[(3R)-piperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]phenol
PubChem CID166487645
Molecular FormulaC19H22F2N4O3
Molecular Weight392.41 g/mol
Exact Mass392.17
IUPAC Name5-(difluoromethoxy)-2-[4-[[(3R)-piperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]phenol
SMILESOc1cc(OC(F)F)ccc1-c1nnc(N[C@@H]2CCCNC2)c2c1CCOC2
InChIInChI=1S/C19H22F2N4O3/c20-19(21)28-12-3-4-14(16(26)8-12)17-13-5-7-27-10-15(13)18(25-24-17)23-11-2-1-6-22-9-11/h3-4,8,11,19,22,26H,1-2,5-7,9-10H2,(H,23,25)/t11-/m1/s1
InChIKeyGESQFFSNXVZEGG-LLVKDONJSA-N
XLogP2.69
TPSA88.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-2-[4-[[(3R)-piperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]phenol?
The IUPAC name of 5-(difluoromethoxy)-2-[4-[[(3R)-piperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]phenol (CID 166487645) is 5-(difluoromethoxy)-2-[4-[[(3R)-piperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]phenol.
What is the SMILES notation for 5-(difluoromethoxy)-2-[4-[[(3R)-piperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]phenol?
The canonical SMILES for 5-(difluoromethoxy)-2-[4-[[(3R)-piperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]phenol is Oc1cc(OC(F)F)ccc1-c1nnc(N[C@@H]2CCCNC2)c2c1CCOC2.
What is the InChIKey of 5-(difluoromethoxy)-2-[4-[[(3R)-piperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]phenol?
The InChIKey is GESQFFSNXVZEGG-LLVKDONJSA-N. The full InChI is InChI=1S/C19H22F2N4O3/c20-19(21)28-12-3-4-14(16(26)8-12)17-13-5-7-27-10-15(13)18(25-24-17)23-11-2-1-6-22-9-11/h3-4,8,11,19,22,26H,1-2,5-7,9-10H2,(H,23,25)/t11-/m1/s1.
What are the key properties of 5-(difluoromethoxy)-2-[4-[[(3R)-piperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]phenol?
5-(difluoromethoxy)-2-[4-[[(3R)-piperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]phenol has a molecular weight of 392.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-2-[4-[[(3R)-piperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]phenol is sourced from PubChem (CID 166487645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).