tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;[4-(3-methylphenyl)phenyl]boronic acid;1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride

C88H95BBrClN12O8 — CID 158979627

IUPACtert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;[4-(3-methylphenyl)phenyl]boronic acid;1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(-c4cccc(C)c4)cc3)c3cnccc32)C1.CC(C)(C)OC(=O)N1CCC[C@@H](n2nc(Br)c3cnccc32)C1.Cc1cccc(-c2ccc(-c3nn([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c4ccncc34)cc2)c1.Cc1cccc(-c2ccc(B(O)O)cc2)c1
InChIInChI=1S/C29H32N4O2.C27H26N4O.C16H21BrN4O2.C13H13BO2.C3H3ClO/c1-20-7-5-8-23(17-20)21-10-12-22(13-11-21)27-25-18-30-15-14-26(25)33(31-27)24-9-6-16-32(19-24)28(34)35-29(2,3)4;1-3-26(32)30-15-5-8-23(18-30)31-25-13-14-28-17-24(25)27(29-31)21-11-9-20(10-12-21)22-7-4-6-19(2)16-22;1-16(2,3)23-15(22)20-8-4-5-11(10-20)21-13-6-7-18-9-12(13)14(17)19-21;1-10-3-2-4-12(9-10)11-5-7-13(8-6-11)14(15)16;1-2-3(4)5/h5,7-8,10-15,17-18,24H,6,9,16,19H2,1-4H3;3-4,6-7,9-14,16-17,23H,1,5,8,15,18H2,2H3;6-7,9,11H,4-5,8,10H2,1-3H3;2-9,15-16H,1H3;2H,1H2/t24-;23-;11-;;/m111../s1
InChIKeyJOVFSHKDZYOPMW-OZCXGIBGSA-N
MW1574.97 g/mol
LogP18.11
Rot. Bonds11

About tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;[4-(3-methylphenyl)phenyl]boronic acid;1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride

tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;[4-(3-methylphenyl)phenyl]boronic acid;1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride (PubChem CID 158979627) has the molecular formula C88H95BBrClN12O8 and a molecular weight of 1574.97 g/mol. Its IUPAC name is tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;[4-(3-methylphenyl)phenyl]boronic acid;1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride.

Molecular Properties

Compound Nametert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;[4-(3-methylphenyl)phenyl]boronic acid;1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride
PubChem CID158979627
Molecular FormulaC88H95BBrClN12O8
Molecular Weight1574.97 g/mol
Exact Mass1572.64
IUPAC Nametert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;[4-(3-methylphenyl)phenyl]boronic acid;1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(-c4cccc(C)c4)cc3)c3cnccc32)C1.CC(C)(C)OC(=O)N1CCC[C@@H](n2nc(Br)c3cnccc32)C1.Cc1cccc(-c2ccc(-c3nn([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c4ccncc34)cc2)c1.Cc1cccc(-c2ccc(B(O)O)cc2)c1
InChIInChI=1S/C29H32N4O2.C27H26N4O.C16H21BrN4O2.C13H13BO2.C3H3ClO/c1-20-7-5-8-23(17-20)21-10-12-22(13-11-21)27-25-18-30-15-14-26(25)33(31-27)24-9-6-16-32(19-24)28(34)35-29(2,3)4;1-3-26(32)30-15-5-8-23(18-30)31-25-13-14-28-17-24(25)27(29-31)21-11-9-20(10-12-21)22-7-4-6-19(2)16-22;1-16(2,3)23-15(22)20-8-4-5-11(10-20)21-13-6-7-18-9-12(13)14(17)19-21;1-10-3-2-4-12(9-10)11-5-7-13(8-6-11)14(15)16;1-2-3(4)5/h5,7-8,10-15,17-18,24H,6,9,16,19H2,1-4H3;3-4,6-7,9-14,16-17,23H,1,5,8,15,18H2,2H3;6-7,9,11H,4-5,8,10H2,1-3H3;2-9,15-16H,1H3;2H,1H2/t24-;23-;11-;;/m111../s1
InChIKeyJOVFSHKDZYOPMW-OZCXGIBGSA-N
XLogP18.11
TPSA229.05 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001574.97
LogP ≤ 518.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;[4-(3-methylphenyl)phenyl]boronic acid;1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride with MolForge

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Related Compounds

(4-aminophenyl)boronic acid;tert-butyl (3R)-3-[3-(4-aminophenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;prop-2-enoyl chloride;N-[4-[1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide;3-(trifluoromethyl)benzoyl chloride
CID 161028030
4-(4-Bromophenyl)-1-propan-2-ylpiperidine;tert-butyl 4-[6-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate
CID 158987396
1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 159467579
3-(4-Bromophenyl)-1-ethylpyrrolidine;tert-butyl 4-[6-[4-(1-ethylpyrrolidin-3-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate
CID 160168431
3-(4-Bromophenyl)-1-propan-2-ylazetidine;tert-butyl 4-[6-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate
CID 161820289
3-(4-Bromophenyl)-1-ethylpyrrolidine;tert-butyl 4-[6-[4-(1-ethylpyrrolidin-3-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;methane
CID 167610720

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;[4-(3-methylphenyl)phenyl]boronic acid;1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride?
The IUPAC name of tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;[4-(3-methylphenyl)phenyl]boronic acid;1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride (CID 158979627) is tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;[4-(3-methylphenyl)phenyl]boronic acid;1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride.
What is the SMILES notation for tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;[4-(3-methylphenyl)phenyl]boronic acid;1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride?
The canonical SMILES for tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;[4-(3-methylphenyl)phenyl]boronic acid;1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(-c4cccc(C)c4)cc3)c3cnccc32)C1.CC(C)(C)OC(=O)N1CCC[C@@H](n2nc(Br)c3cnccc32)C1.Cc1cccc(-c2ccc(-c3nn([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c4ccncc34)cc2)c1.Cc1cccc(-c2ccc(B(O)O)cc2)c1.
What is the InChIKey of tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;[4-(3-methylphenyl)phenyl]boronic acid;1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride?
The InChIKey is JOVFSHKDZYOPMW-OZCXGIBGSA-N. The full InChI is InChI=1S/C29H32N4O2.C27H26N4O.C16H21BrN4O2.C13H13BO2.C3H3ClO/c1-20-7-5-8-23(17-20)21-10-12-22(13-11-21)27-25-18-30-15-14-26(25)33(31-27)24-9-6-16-32(19-24)28(34)35-29(2,3)4;1-3-26(32)30-15-5-8-23(18-30)31-25-13-14-28-17-24(25)27(29-31)21-11-9-20(10-12-21)22-7-4-6-19(2)16-22;1-16(2,3)23-15(22)20-8-4-5-11(10-20)21-13-6-7-18-9-12(13)14(17)19-21;1-10-3-2-4-12(9-10)11-5-7-13(8-6-11)14(15)16;1-2-3(4)5/h5,7-8,10-15,17-18,24H,6,9,16,19H2,1-4H3;3-4,6-7,9-14,16-17,23H,1,5,8,15,18H2,2H3;6-7,9,11H,4-5,8,10H2,1-3H3;2-9,15-16H,1H3;2H,1H2/t24-;23-;11-;;/m111../s1.
What are the key properties of tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;[4-(3-methylphenyl)phenyl]boronic acid;1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride?
tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;[4-(3-methylphenyl)phenyl]boronic acid;1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride has a molecular weight of 1574.97 g/mol, XLogP of 18.11, 11 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;[4-(3-methylphenyl)phenyl]boronic acid;1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride is sourced from PubChem (CID 158979627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).