(4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C48H58BClN10O6 — CID 162223737

IUPAC(4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2ccc(C3CC3)nc2)OC1(C)C.C[C@@H](Oc1nc(-c2ccc(C3CC3)nc2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1nc(Cl)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C21H23N5O2.C14H20BNO2.C13H15ClN4O2/c1-12(15-7-20(27)23-10-15)28-21-16-11-26(2)25-19(16)8-18(24-21)14-5-6-17(22-9-14)13-3-4-13;1-13(2)14(3,4)18-15(17-13)11-7-8-12(16-9-11)10-5-6-10;1-7(8-3-12(19)15-5-8)20-13-9-6-18(2)17-10(9)4-11(14)16-13/h5-6,8-9,11-13,15H,3-4,7,10H2,1-2H3,(H,23,27);7-10H,5-6H2,1-4H3;4,6-8H,3,5H2,1-2H3,(H,15,19)/t12-,15-;;7-,8-/m1.1/s1
InChIKeyZULYWRAJUDBQJT-GIKBARLZSA-N
MW917.32 g/mol
LogP6.59
Rot. Bonds10

About (4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

(4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 162223737) has the molecular formula C48H58BClN10O6 and a molecular weight of 917.32 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID162223737
Molecular FormulaC48H58BClN10O6
Molecular Weight917.32 g/mol
Exact Mass916.43
IUPAC Name(4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2ccc(C3CC3)nc2)OC1(C)C.C[C@@H](Oc1nc(-c2ccc(C3CC3)nc2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1nc(Cl)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C21H23N5O2.C14H20BNO2.C13H15ClN4O2/c1-12(15-7-20(27)23-10-15)28-21-16-11-26(2)25-19(16)8-18(24-21)14-5-6-17(22-9-14)13-3-4-13;1-13(2)14(3,4)18-15(17-13)11-7-8-12(16-9-11)10-5-6-10;1-7(8-3-12(19)15-5-8)20-13-9-6-18(2)17-10(9)4-11(14)16-13/h5-6,8-9,11-13,15H,3-4,7,10H2,1-2H3,(H,23,27);7-10H,5-6H2,1-4H3;4,6-8H,3,5H2,1-2H3,(H,15,19)/t12-,15-;;7-,8-/m1.1/s1
InChIKeyZULYWRAJUDBQJT-GIKBARLZSA-N
XLogP6.59
TPSA182.32 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500917.32
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine with MolForge

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Related Compounds

(4R)-4-[(1R)-1-[6-(6-methoxy-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 118401297
(4R)-4-[1-[2-methyl-6-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 163491399
(4R)-4-[(1R)-1-[2-methyl-6-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 118401316
(4R)-4-[1-[2-methyl-6-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 138617646
(4R)-4-[1-[6-[1-(difluoromethyl)imidazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 146943239
(3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
CID 157450164
tert-butyl 4-[4-[2-methyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[4,3-c]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 118386398
(4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one
CID 122497073
tert-butyl 6'-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1'-methyl-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;tert-butyl 1'-methyl-2'-oxo-6'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[azetidine-3,3'-indole]-1-carboxylate
CID 160617813
(3R)-3-[(1R)-1-[2-methyl-6-[2-methyl-4-[(1R)-1-[(1S)-3-oxocyclopentyl]ethoxy]pyrazolo[4,3-c]pyridin-6-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
CID 157497976
2-cyclopropyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
CID 176676479
(4R)-4-[1-[6-(7-chloro-1H-indol-2-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 118401491

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of (4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 162223737) is (4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for (4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for (4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)OB(c2ccc(C3CC3)nc2)OC1(C)C.C[C@@H](Oc1nc(-c2ccc(C3CC3)nc2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1nc(Cl)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is ZULYWRAJUDBQJT-GIKBARLZSA-N. The full InChI is InChI=1S/C21H23N5O2.C14H20BNO2.C13H15ClN4O2/c1-12(15-7-20(27)23-10-15)28-21-16-11-26(2)25-19(16)8-18(24-21)14-5-6-17(22-9-14)13-3-4-13;1-13(2)14(3,4)18-15(17-13)11-7-8-12(16-9-11)10-5-6-10;1-7(8-3-12(19)15-5-8)20-13-9-6-18(2)17-10(9)4-11(14)16-13/h5-6,8-9,11-13,15H,3-4,7,10H2,1-2H3,(H,23,27);7-10H,5-6H2,1-4H3;4,6-8H,3,5H2,1-2H3,(H,15,19)/t12-,15-;;7-,8-/m1.1/s1.
What are the key properties of (4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
(4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 917.32 g/mol, XLogP of 6.59, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 162223737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).