(4R)-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

C24H26F6N6O2 — CID 137148060

IUPAC(4R)-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=C1C[C@@H](C(F)(F)F)c2c(n[nH]c2C2CCN(c3cc(C(=O)N4CCCCC4)c(C(F)(F)F)cn3)CC2)N1
InChIInChI=1S/C24H26F6N6O2/c25-23(26,27)15-11-18(37)32-21-19(15)20(33-34-21)13-4-8-35(9-5-13)17-10-14(16(12-31-17)24(28,29)30)22(38)36-6-2-1-3-7-36/h10,12-13,15H,1-9,11H2,(H2,32,33,34,37)/t15-/m1/s1
InChIKeyYXQRDBDNUDGWGZ-OAHLLOKOSA-N
MW544.50 g/mol
LogP4.82
Rot. Bonds3

About (4R)-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)-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 137148060) has the molecular formula C24H26F6N6O2 and a molecular weight of 544.50 g/mol. Its IUPAC name is (4R)-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)-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 CID137148060
Molecular FormulaC24H26F6N6O2
Molecular Weight544.50 g/mol
Exact Mass544.20
IUPAC Name(4R)-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=C1C[C@@H](C(F)(F)F)c2c(n[nH]c2C2CCN(c3cc(C(=O)N4CCCCC4)c(C(F)(F)F)cn3)CC2)N1
InChIInChI=1S/C24H26F6N6O2/c25-23(26,27)15-11-18(37)32-21-19(15)20(33-34-21)13-4-8-35(9-5-13)17-10-14(16(12-31-17)24(28,29)30)22(38)36-6-2-1-3-7-36/h10,12-13,15H,1-9,11H2,(H2,32,33,34,37)/t15-/m1/s1
InChIKeyYXQRDBDNUDGWGZ-OAHLLOKOSA-N
XLogP4.82
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.50
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R)-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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Related Compounds

2-[4-[(4R,5R)-5-hydroxy-6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 137082683
(6S,7S)-6-hydroxy-1-[1-[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-7-(trifluoromethyl)-3,4,6,7-tetrahydroisoindol-5-one
CID 159345147
4-hydroxy-5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-4,5,6,8-tetrahydro-2H-pyrazolo[3,4-b]azepin-7-one
CID 163472513
(4S,5S)-5-hydroxy-3-[1-(5-propan-2-yloxy-2-pyridinyl)piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 137082609
6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 136968666
azepan-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone
CID 47800832
2-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-N,N-dimethyl-5-(trifluoromethyl)pyridine-4-carboxamide
CID 162563645
pyrrolidin-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone
CID 110848542
3-[1-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 171648376
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62075958
4-(4-methylphenyl)-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 91906953
[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341009

Frequently Asked Questions

What is the IUPAC name of (4R)-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)-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 137148060) is (4R)-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)-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)-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=C1C[C@@H](C(F)(F)F)c2c(n[nH]c2C2CCN(c3cc(C(=O)N4CCCCC4)c(C(F)(F)F)cn3)CC2)N1.
What is the InChIKey of (4R)-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 YXQRDBDNUDGWGZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H26F6N6O2/c25-23(26,27)15-11-18(37)32-21-19(15)20(33-34-21)13-4-8-35(9-5-13)17-10-14(16(12-31-17)24(28,29)30)22(38)36-6-2-1-3-7-36/h10,12-13,15H,1-9,11H2,(H2,32,33,34,37)/t15-/m1/s1.
What are the key properties of (4R)-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)-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 544.50 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-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 137148060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).