2-[4-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl]-5-(trifluoromethyl)pyridin-3-ol

C21H26F3N5O2 — CID 170259221

IUPAC2-[4-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl]-5-(trifluoromethyl)pyridin-3-ol
SMILESCC(CO)N1CCCC(Nc2nnc(-c3ncc(C(F)(F)F)cc3O)c3c2CCC3)C1
InChIInChI=1S/C21H26F3N5O2/c1-12(11-30)29-7-3-4-14(10-29)26-20-16-6-2-5-15(16)18(27-28-20)19-17(31)8-13(9-25-19)21(22,23)24/h8-9,12,14,30-31H,2-7,10-11H2,1H3,(H,26,28)
InChIKeyIZGAMAJKLHNCHG-UHFFFAOYSA-N
MW437.47 g/mol
LogP3.01
Rot. Bonds5

About 2-[4-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl]-5-(trifluoromethyl)pyridin-3-ol

2-[4-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl]-5-(trifluoromethyl)pyridin-3-ol (PubChem CID 170259221) has the molecular formula C21H26F3N5O2 and a molecular weight of 437.47 g/mol. Its IUPAC name is 2-[4-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl]-5-(trifluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name2-[4-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl]-5-(trifluoromethyl)pyridin-3-ol
PubChem CID170259221
Molecular FormulaC21H26F3N5O2
Molecular Weight437.47 g/mol
Exact Mass437.20
IUPAC Name2-[4-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl]-5-(trifluoromethyl)pyridin-3-ol
SMILESCC(CO)N1CCCC(Nc2nnc(-c3ncc(C(F)(F)F)cc3O)c3c2CCC3)C1
InChIInChI=1S/C21H26F3N5O2/c1-12(11-30)29-7-3-4-14(10-29)26-20-16-6-2-5-15(16)18(27-28-20)19-17(31)8-13(9-25-19)21(22,23)24/h8-9,12,14,30-31H,2-7,10-11H2,1H3,(H,26,28)
InChIKeyIZGAMAJKLHNCHG-UHFFFAOYSA-N
XLogP3.01
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl]-5-(trifluoromethyl)pyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl]-5-(trifluoromethyl)pyridin-3-ol?
The IUPAC name of 2-[4-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl]-5-(trifluoromethyl)pyridin-3-ol (CID 170259221) is 2-[4-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl]-5-(trifluoromethyl)pyridin-3-ol.
What is the SMILES notation for 2-[4-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl]-5-(trifluoromethyl)pyridin-3-ol?
The canonical SMILES for 2-[4-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl]-5-(trifluoromethyl)pyridin-3-ol is CC(CO)N1CCCC(Nc2nnc(-c3ncc(C(F)(F)F)cc3O)c3c2CCC3)C1.
What is the InChIKey of 2-[4-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl]-5-(trifluoromethyl)pyridin-3-ol?
The InChIKey is IZGAMAJKLHNCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N5O2/c1-12(11-30)29-7-3-4-14(10-29)26-20-16-6-2-5-15(16)18(27-28-20)19-17(31)8-13(9-25-19)21(22,23)24/h8-9,12,14,30-31H,2-7,10-11H2,1H3,(H,26,28).
What are the key properties of 2-[4-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl]-5-(trifluoromethyl)pyridin-3-ol?
2-[4-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl]-5-(trifluoromethyl)pyridin-3-ol has a molecular weight of 437.47 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl]-5-(trifluoromethyl)pyridin-3-ol is sourced from PubChem (CID 170259221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).