(4R,5R)-5-hydroxy-3-[1-[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C24H26F6N6O3 — CID 137082669

IUPAC(4R,5R)-5-hydroxy-3-[1-[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESO=C1Nc2n[nH]c(C3CCN(c4cc(C(=O)N5CCCCC5)c(C(F)(F)F)cn4)CC3)c2[C@@H](C(F)(F)F)[C@H]1O
InChIInChI=1S/C24H26F6N6O3/c25-23(26,27)14-11-31-15(10-13(14)22(39)36-6-2-1-3-7-36)35-8-4-12(5-9-35)18-16-17(24(28,29)30)19(37)21(38)32-20(16)34-33-18/h10-12,17,19,37H,1-9H2,(H2,32,33,34,38)/t17-,19-/m1/s1
InChIKeyUIQYRRRJGRKPAM-IEBWSBKVSA-N
MW560.50 g/mol
LogP3.79
Rot. Bonds3

About (4R,5R)-5-hydroxy-3-[1-[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

(4R,5R)-5-hydroxy-3-[1-[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 137082669) has the molecular formula C24H26F6N6O3 and a molecular weight of 560.50 g/mol. Its IUPAC name is (4R,5R)-5-hydroxy-3-[1-[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R,5R)-5-hydroxy-3-[1-[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID137082669
Molecular FormulaC24H26F6N6O3
Molecular Weight560.50 g/mol
Exact Mass560.20
IUPAC Name(4R,5R)-5-hydroxy-3-[1-[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESO=C1Nc2n[nH]c(C3CCN(c4cc(C(=O)N5CCCCC5)c(C(F)(F)F)cn4)CC3)c2[C@@H](C(F)(F)F)[C@H]1O
InChIInChI=1S/C24H26F6N6O3/c25-23(26,27)14-11-31-15(10-13(14)22(39)36-6-2-1-3-7-36)35-8-4-12(5-9-35)18-16-17(24(28,29)30)19(37)21(38)32-20(16)34-33-18/h10-12,17,19,37H,1-9H2,(H2,32,33,34,38)/t17-,19-/m1/s1
InChIKeyUIQYRRRJGRKPAM-IEBWSBKVSA-N
XLogP3.79
TPSA114.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.50
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (4R,5R)-5-hydroxy-3-[1-[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-hydroxy-3-[1-[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of (4R,5R)-5-hydroxy-3-[1-[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 137082669) is (4R,5R)-5-hydroxy-3-[1-[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for (4R,5R)-5-hydroxy-3-[1-[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for (4R,5R)-5-hydroxy-3-[1-[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is O=C1Nc2n[nH]c(C3CCN(c4cc(C(=O)N5CCCCC5)c(C(F)(F)F)cn4)CC3)c2[C@@H](C(F)(F)F)[C@H]1O.
What is the InChIKey of (4R,5R)-5-hydroxy-3-[1-[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is UIQYRRRJGRKPAM-IEBWSBKVSA-N. The full InChI is InChI=1S/C24H26F6N6O3/c25-23(26,27)14-11-31-15(10-13(14)22(39)36-6-2-1-3-7-36)35-8-4-12(5-9-35)18-16-17(24(28,29)30)19(37)21(38)32-20(16)34-33-18/h10-12,17,19,37H,1-9H2,(H2,32,33,34,38)/t17-,19-/m1/s1.
What are the key properties of (4R,5R)-5-hydroxy-3-[1-[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
(4R,5R)-5-hydroxy-3-[1-[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 560.50 g/mol, XLogP of 3.79, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-hydroxy-3-[1-[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 137082669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).