4-hydroxy-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride

C19H24ClF3N6O3 — CID 136951026

IUPAC4-hydroxy-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride
SMILESCC(C)Oc1ccc(N2CCC(c3[nH]nc4c3C(O)(C(F)(F)F)CC(=O)N4)CC2)nn1.Cl
InChIInChI=1S/C19H23F3N6O3.ClH/c1-10(2)31-14-4-3-12(24-25-14)28-7-5-11(6-8-28)16-15-17(27-26-16)23-13(29)9-18(15,30)19(20,21)22;/h3-4,10-11,30H,5-9H2,1-2H3,(H2,23,26,27,29);1H
InChIKeyJTVFNHZMFLKMKT-UHFFFAOYSA-N
MW476.89 g/mol
LogP2.88
Rot. Bonds4

About 4-hydroxy-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride

4-hydroxy-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride (PubChem CID 136951026) has the molecular formula C19H24ClF3N6O3 and a molecular weight of 476.89 g/mol. Its IUPAC name is 4-hydroxy-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride
PubChem CID136951026
Molecular FormulaC19H24ClF3N6O3
Molecular Weight476.89 g/mol
Exact Mass476.16
IUPAC Name4-hydroxy-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride
SMILESCC(C)Oc1ccc(N2CCC(c3[nH]nc4c3C(O)(C(F)(F)F)CC(=O)N4)CC2)nn1.Cl
InChIInChI=1S/C19H23F3N6O3.ClH/c1-10(2)31-14-4-3-12(24-25-14)28-7-5-11(6-8-28)16-15-17(27-26-16)23-13(29)9-18(15,30)19(20,21)22;/h3-4,10-11,30H,5-9H2,1-2H3,(H2,23,26,27,29);1H
InChIKeyJTVFNHZMFLKMKT-UHFFFAOYSA-N
XLogP2.88
TPSA116.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.89
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride?
The IUPAC name of 4-hydroxy-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride (CID 136951026) is 4-hydroxy-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride.
What is the SMILES notation for 4-hydroxy-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride?
The canonical SMILES for 4-hydroxy-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride is CC(C)Oc1ccc(N2CCC(c3[nH]nc4c3C(O)(C(F)(F)F)CC(=O)N4)CC2)nn1.Cl.
What is the InChIKey of 4-hydroxy-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride?
The InChIKey is JTVFNHZMFLKMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O3.ClH/c1-10(2)31-14-4-3-12(24-25-14)28-7-5-11(6-8-28)16-15-17(27-26-16)23-13(29)9-18(15,30)19(20,21)22;/h3-4,10-11,30H,5-9H2,1-2H3,(H2,23,26,27,29);1H.
What are the key properties of 4-hydroxy-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride?
4-hydroxy-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride has a molecular weight of 476.89 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[1-(6-propan-2-yloxypyridazin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride is sourced from PubChem (CID 136951026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).