tert-butyl (3R)-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate;tert-butyl (3R)-3-[3-(4-phenylmethoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;4-chloropyridine;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanone;phenylboronic acid;4-phenylmethoxybenzaldehyde;3-(4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-c]pyridine;N-propan-2-ylpropan-2-amine

C153H160BCl3N16O20S — CID 158053545

About tert-butyl (3R)-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate;tert-butyl (3R)-3-[3-(4-phenylmethoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;4-chloropyridine;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanone;phenylboronic acid;4-phenylmethoxybenzaldehyde;3-(4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-c]pyridine;N-propan-2-ylpropan-2-amine

tert-butyl (3R)-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate;tert-butyl (3R)-3-[3-(4-phenylmethoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;4-chloropyridine;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanone;phenylboronic acid;4-phenylmethoxybenzaldehyde;3-(4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-c]pyridine;N-propan-2-ylpropan-2-amine (PubChem CID 158053545) has the molecular formula C153H160BCl3N16O20S and a molecular weight of 2692.29 g/mol. Its IUPAC name is tert-butyl (3R)-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate;tert-butyl (3R)-3-[3-(4-phenylmethoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;4-chloropyridine;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanone;phenylboronic acid;4-phenylmethoxybenzaldehyde;3-(4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-c]pyridine;N-propan-2-ylpropan-2-amine.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate;tert-butyl (3R)-3-[3-(4-phenylmethoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;4-chloropyridine;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanone;phenylboronic acid;4-phenylmethoxybenzaldehyde;3-(4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-c]pyridine;N-propan-2-ylpropan-2-amine
• PubChem CID: 158053545
• Molecular Formula: C153H160BCl3N16O20S
• Molecular Weight: 2692.29 g/mol
• Exact Mass: 2689.09
• IUPAC Name: tert-butyl (3R)-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate;tert-butyl (3R)-3-[3-(4-phenylmethoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;4-chloropyridine;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanone;phenylboronic acid;4-phenylmethoxybenzaldehyde;3-(4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-c]pyridine;N-propan-2-ylpropan-2-amine
• SMILES: CC(C)(C)OC(=O)N1CC[C@@H](n2nc(-c3ccc(O)cc3)c3cnccc32)C1.CC(C)(C)OC(=O)N1CC[C@@H](n2nc(-c3ccc(OCc4ccccc4)cc3)c3cnccc32)C1.CC(C)NC(C)C.Cc1ccc(S(=O)(=O)O[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1.Clc1ccncc1.O=C(c1ccc(OCc2ccccc2)cc1)c1cnccc1Cl.O=Cc1ccc(OCc2ccccc2)cc1.OB(O)c1ccccc1.OC(c1ccc(OCc2ccccc2)cc1)c1cnccc1Cl.c1ccc(COc2ccc(-c3n[nH]c4ccncc34)cc2)cc1
• InChI: InChI=1S/C28H30N4O3.C21H24N4O3.C19H16ClNO2.C19H14ClNO2.C19H15N3O.C16H23NO5S.C14H12O2.C6H7BO2.C6H15N.C5H4ClN/c1-28(2,3)35-27(33)31-16-14-22(18-31)32-25-13-15-29-17-24(25)26(30-32)21-9-11-23(12-10-21)34-19-20-7-5-4-6-8-20;1-21(2,3)28-20(27)24-11-9-15(13-24)25-18-8-10-22-12-17(18)19(23-25)14-4-6-16(26)7-5-14;2*20-18-10-11-21-12-17(18)19(22)15-6-8-16(9-7-15)23-13-14-4-2-1-3-5-14;1-2-4-14(5-3-1)13-23-16-8-6-15(7-9-16)19-17-12-20-11-10-18(17)21-22-19;1-12-5-7-14(8-6-12)23(19,20)22-13-9-10-17(11-13)15(18)21-16(2,3)4;15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;8-7(9)6-4-2-1-3-5-6;1-5(2)7-6(3)4;6-5-1-3-7-4-2-5/h4-13,15,17,22H,14,16,18-19H2,1-3H3;4-8,10,12,15,26H,9,11,13H2,1-3H3;1-12,19,22H,13H2;1-12H,13H2;1-12H,13H2,(H,21,22);5-8,13H,9-11H2,1-4H3;1-10H,11H2;1-5,8-9H;5-7H,1-4H3;1-4H/t22-;15-;;;;13-;;;;/m11...0..../s1
• InChIKey: FJTORPOMYUQJJD-RSXILNGCSA-N
• XLogP: 31.27
• TPSA: 446.89 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2692.29
LogP ≤ 5	31.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate;tert-butyl (3R)-3-[3-(4-phenylmethoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;4-chloropyridine;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanone;phenylboronic acid;4-phenylmethoxybenzaldehyde;3-(4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-c]pyridine;N-propan-2-ylpropan-2-amine?

The IUPAC name of tert-butyl (3R)-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate;tert-butyl (3R)-3-[3-(4-phenylmethoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;4-chloropyridine;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanone;phenylboronic acid;4-phenylmethoxybenzaldehyde;3-(4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-c]pyridine;N-propan-2-ylpropan-2-amine (CID 158053545) is tert-butyl (3R)-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate;tert-butyl (3R)-3-[3-(4-phenylmethoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;4-chloropyridine;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanone;phenylboronic acid;4-phenylmethoxybenzaldehyde;3-(4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-c]pyridine;N-propan-2-ylpropan-2-amine.

What is the SMILES notation for tert-butyl (3R)-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate;tert-butyl (3R)-3-[3-(4-phenylmethoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;4-chloropyridine;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanone;phenylboronic acid;4-phenylmethoxybenzaldehyde;3-(4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-c]pyridine;N-propan-2-ylpropan-2-amine?

The canonical SMILES for tert-butyl (3R)-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate;tert-butyl (3R)-3-[3-(4-phenylmethoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;4-chloropyridine;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanone;phenylboronic acid;4-phenylmethoxybenzaldehyde;3-(4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-c]pyridine;N-propan-2-ylpropan-2-amine is CC(C)(C)OC(=O)N1CC[C@@H](n2nc(-c3ccc(O)cc3)c3cnccc32)C1.CC(C)(C)OC(=O)N1CC[C@@H](n2nc(-c3ccc(OCc4ccccc4)cc3)c3cnccc32)C1.CC(C)NC(C)C.Cc1ccc(S(=O)(=O)O[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1.Clc1ccncc1.O=C(c1ccc(OCc2ccccc2)cc1)c1cnccc1Cl.O=Cc1ccc(OCc2ccccc2)cc1.OB(O)c1ccccc1.OC(c1ccc(OCc2ccccc2)cc1)c1cnccc1Cl.c1ccc(COc2ccc(-c3n[nH]c4ccncc34)cc2)cc1.

What is the InChIKey of tert-butyl (3R)-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate;tert-butyl (3R)-3-[3-(4-phenylmethoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;4-chloropyridine;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanone;phenylboronic acid;4-phenylmethoxybenzaldehyde;3-(4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-c]pyridine;N-propan-2-ylpropan-2-amine?

The InChIKey is FJTORPOMYUQJJD-RSXILNGCSA-N. The full InChI is InChI=1S/C28H30N4O3.C21H24N4O3.C19H16ClNO2.C19H14ClNO2.C19H15N3O.C16H23NO5S.C14H12O2.C6H7BO2.C6H15N.C5H4ClN/c1-28(2,3)35-27(33)31-16-14-22(18-31)32-25-13-15-29-17-24(25)26(30-32)21-9-11-23(12-10-21)34-19-20-7-5-4-6-8-20;1-21(2,3)28-20(27)24-11-9-15(13-24)25-18-8-10-22-12-17(18)19(23-25)14-4-6-16(26)7-5-14;2*20-18-10-11-21-12-17(18)19(22)15-6-8-16(9-7-15)23-13-14-4-2-1-3-5-14;1-2-4-14(5-3-1)13-23-16-8-6-15(7-9-16)19-17-12-20-11-10-18(17)21-22-19;1-12-5-7-14(8-6-12)23(19,20)22-13-9-10-17(11-13)15(18)21-16(2,3)4;15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;8-7(9)6-4-2-1-3-5-6;1-5(2)7-6(3)4;6-5-1-3-7-4-2-5/h4-13,15,17,22H,14,16,18-19H2,1-3H3;4-8,10,12,15,26H,9,11,13H2,1-3H3;1-12,19,22H,13H2;1-12H,13H2;1-12H,13H2,(H,21,22);5-8,13H,9-11H2,1-4H3;1-10H,11H2;1-5,8-9H;5-7H,1-4H3;1-4H/t22-;15-;;;;13-;;;;/m11...0..../s1.

What are the key properties of tert-butyl (3R)-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate;tert-butyl (3R)-3-[3-(4-phenylmethoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;4-chloropyridine;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanone;phenylboronic acid;4-phenylmethoxybenzaldehyde;3-(4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-c]pyridine;N-propan-2-ylpropan-2-amine?

tert-butyl (3R)-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate;tert-butyl (3R)-3-[3-(4-phenylmethoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;4-chloropyridine;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanone;phenylboronic acid;4-phenylmethoxybenzaldehyde;3-(4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-c]pyridine;N-propan-2-ylpropan-2-amine has a molecular weight of 2692.29 g/mol, XLogP of 31.27, 31 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate;tert-butyl (3R)-3-[3-(4-phenylmethoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;4-chloropyridine;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol;(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanone;phenylboronic acid;4-phenylmethoxybenzaldehyde;3-(4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-c]pyridine;N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 158053545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).