3-bromo-2H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate;[4-(2-chloro-3-methoxyphenoxy)phenyl]boronic acid;4-chloropyridine-3-carbaldehyde;molecular bromine;prop-2-enoyl chloride;1H-pyrazolo[4,5-c]pyridine

C96H105BBr4Cl4N16O17S — CID 162132229

IUPAC3-bromo-2H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate;[4-(2-chloro-3-methoxyphenoxy)phenyl]boronic acid;4-chloropyridine-3-carbaldehyde;molecular bromine;prop-2-enoyl chloride;1H-pyrazolo[4,5-c]pyridine
SMILESBrBr.Brc1[nH]nc2ccncc12.C=CC(=O)Cl.CC(C)(C)OC(=O)N1CCC[C@@H](n2nc(Br)c3cnccc32)C1.COc1cccc(Oc2ccc(-c3nn([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c4ccncc34)cc2)c1Cl.COc1cccc(Oc2ccc(B(O)O)cc2)c1Cl.Cc1ccc(S(=O)(=O)O[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1.O=Cc1cnccc1Cl.c1cc2[nH]ncc2cn1
InChIInChI=1S/C29H31ClN4O4.C17H25NO5S.C16H21BrN4O2.C13H12BClO4.C6H4BrN3.C6H4ClNO.C6H5N3.C3H3ClO.Br2/c1-29(2,3)38-28(35)33-16-6-7-20(18-33)34-23-14-15-31-17-22(23)27(32-34)19-10-12-21(13-11-19)37-25-9-5-8-24(36-4)26(25)30;1-13-7-9-15(10-8-13)24(20,21)23-14-6-5-11-18(12-14)16(19)22-17(2,3)4;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;1-18-11-3-2-4-12(13(11)15)19-10-7-5-9(6-8-10)14(16)17;7-6-4-3-8-2-1-5(4)9-10-6;7-6-1-2-8-3-5(6)4-9;1-2-7-3-5-4-8-9-6(1)5;1-2-3(4)5;1-2/h5,8-15,17,20H,6-7,16,18H2,1-4H3;7-10,14H,5-6,11-12H2,1-4H3;6-7,9,11H,4-5,8,10H2,1-3H3;2-8,16-17H,1H3;1-3H,(H,9,10);1-4H;1-4H,(H,8,9);2H,1H2;/t20-;14-;11-;;;;;;/m101....../s1
InChIKeyZIUSNSBKBAHWTC-HLJYSQKLSA-N
MW2259.30 g/mol
LogP22.67
Rot. Bonds15

About 3-bromo-2H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate;[4-(2-chloro-3-methoxyphenoxy)phenyl]boronic acid;4-chloropyridine-3-carbaldehyde;molecular bromine;prop-2-enoyl chloride;1H-pyrazolo[4,5-c]pyridine

3-bromo-2H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate;[4-(2-chloro-3-methoxyphenoxy)phenyl]boronic acid;4-chloropyridine-3-carbaldehyde;molecular bromine;prop-2-enoyl chloride;1H-pyrazolo[4,5-c]pyridine (PubChem CID 162132229) has the molecular formula C96H105BBr4Cl4N16O17S and a molecular weight of 2259.30 g/mol. Its IUPAC name is 3-bromo-2H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate;[4-(2-chloro-3-methoxyphenoxy)phenyl]boronic acid;4-chloropyridine-3-carbaldehyde;molecular bromine;prop-2-enoyl chloride;1H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-bromo-2H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate;[4-(2-chloro-3-methoxyphenoxy)phenyl]boronic acid;4-chloropyridine-3-carbaldehyde;molecular bromine;prop-2-enoyl chloride;1H-pyrazolo[4,5-c]pyridine
PubChem CID162132229
Molecular FormulaC96H105BBr4Cl4N16O17S
Molecular Weight2259.30 g/mol
Exact Mass2252.31
IUPAC Name3-bromo-2H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate;[4-(2-chloro-3-methoxyphenoxy)phenyl]boronic acid;4-chloropyridine-3-carbaldehyde;molecular bromine;prop-2-enoyl chloride;1H-pyrazolo[4,5-c]pyridine
SMILESBrBr.Brc1[nH]nc2ccncc12.C=CC(=O)Cl.CC(C)(C)OC(=O)N1CCC[C@@H](n2nc(Br)c3cnccc32)C1.COc1cccc(Oc2ccc(-c3nn([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c4ccncc34)cc2)c1Cl.COc1cccc(Oc2ccc(B(O)O)cc2)c1Cl.Cc1ccc(S(=O)(=O)O[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1.O=Cc1cnccc1Cl.c1cc2[nH]ncc2cn1
InChIInChI=1S/C29H31ClN4O4.C17H25NO5S.C16H21BrN4O2.C13H12BClO4.C6H4BrN3.C6H4ClNO.C6H5N3.C3H3ClO.Br2/c1-29(2,3)38-28(35)33-16-6-7-20(18-33)34-23-14-15-31-17-22(23)27(32-34)19-10-12-21(13-11-19)37-25-9-5-8-24(36-4)26(25)30;1-13-7-9-15(10-8-13)24(20,21)23-14-6-5-11-18(12-14)16(19)22-17(2,3)4;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;1-18-11-3-2-4-12(13(11)15)19-10-7-5-9(6-8-10)14(16)17;7-6-4-3-8-2-1-5(4)9-10-6;7-6-1-2-8-3-5(6)4-9;1-2-7-3-5-4-8-9-6(1)5;1-2-3(4)5;1-2/h5,8-15,17,20H,6-7,16,18H2,1-4H3;7-10,14H,5-6,11-12H2,1-4H3;6-7,9,11H,4-5,8,10H2,1-3H3;2-8,16-17H,1H3;1-3H,(H,9,10);1-4H;1-4H,(H,8,9);2H,1H2;/t20-;14-;11-;;;;;;/m101....../s1
InChIKeyZIUSNSBKBAHWTC-HLJYSQKLSA-N
XLogP22.67
TPSA400.96 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds15
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002259.30
LogP ≤ 522.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-bromo-2H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate;[4-(2-chloro-3-methoxyphenoxy)phenyl]boronic acid;4-chloropyridine-3-carbaldehyde;molecular bromine;prop-2-enoyl chloride;1H-pyrazolo[4,5-c]pyridine with MolForge

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Related Compounds

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
3-bromo-2H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate;[4-(2-chloro-3-methoxyphenoxy)phenyl]boronic acid;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;4-chloropyridine-3-carbaldehyde;molecular bromine;prop-2-enoyl chloride;1H-pyrazolo[4,5-c]pyridine
CID 158439726
4-bromobenzaldehyde;tert-butyl (3R)-3-[7-chloro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate;7-chloro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine;3,4-dichloropyridine;bis((4,5-dichloro-3-pyridinyl)-[4-(2-fluoro-3-methoxyphenoxy)phenyl]methanol);2-(dimethylamino)acetic acid;2-fluoro-3-methoxyphenol;4-(2-fluoro-3-methoxyphenoxy)benzaldehyde;hydrochloride
CID 159679046
3-bromo-4-chloropyridine;5-bromo-4-chloropyridine-3-carbaldehyde;7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridine;7-bromo-1H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[7-bromo-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate;(4-phenoxyphenyl)boronic acid
CID 160583455

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate;[4-(2-chloro-3-methoxyphenoxy)phenyl]boronic acid;4-chloropyridine-3-carbaldehyde;molecular bromine;prop-2-enoyl chloride;1H-pyrazolo[4,5-c]pyridine?
The IUPAC name of 3-bromo-2H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate;[4-(2-chloro-3-methoxyphenoxy)phenyl]boronic acid;4-chloropyridine-3-carbaldehyde;molecular bromine;prop-2-enoyl chloride;1H-pyrazolo[4,5-c]pyridine (CID 162132229) is 3-bromo-2H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate;[4-(2-chloro-3-methoxyphenoxy)phenyl]boronic acid;4-chloropyridine-3-carbaldehyde;molecular bromine;prop-2-enoyl chloride;1H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for 3-bromo-2H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate;[4-(2-chloro-3-methoxyphenoxy)phenyl]boronic acid;4-chloropyridine-3-carbaldehyde;molecular bromine;prop-2-enoyl chloride;1H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for 3-bromo-2H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate;[4-(2-chloro-3-methoxyphenoxy)phenyl]boronic acid;4-chloropyridine-3-carbaldehyde;molecular bromine;prop-2-enoyl chloride;1H-pyrazolo[4,5-c]pyridine is BrBr.Brc1[nH]nc2ccncc12.C=CC(=O)Cl.CC(C)(C)OC(=O)N1CCC[C@@H](n2nc(Br)c3cnccc32)C1.COc1cccc(Oc2ccc(-c3nn([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c4ccncc34)cc2)c1Cl.COc1cccc(Oc2ccc(B(O)O)cc2)c1Cl.Cc1ccc(S(=O)(=O)O[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1.O=Cc1cnccc1Cl.c1cc2[nH]ncc2cn1.
What is the InChIKey of 3-bromo-2H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate;[4-(2-chloro-3-methoxyphenoxy)phenyl]boronic acid;4-chloropyridine-3-carbaldehyde;molecular bromine;prop-2-enoyl chloride;1H-pyrazolo[4,5-c]pyridine?
The InChIKey is ZIUSNSBKBAHWTC-HLJYSQKLSA-N. The full InChI is InChI=1S/C29H31ClN4O4.C17H25NO5S.C16H21BrN4O2.C13H12BClO4.C6H4BrN3.C6H4ClNO.C6H5N3.C3H3ClO.Br2/c1-29(2,3)38-28(35)33-16-6-7-20(18-33)34-23-14-15-31-17-22(23)27(32-34)19-10-12-21(13-11-19)37-25-9-5-8-24(36-4)26(25)30;1-13-7-9-15(10-8-13)24(20,21)23-14-6-5-11-18(12-14)16(19)22-17(2,3)4;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;1-18-11-3-2-4-12(13(11)15)19-10-7-5-9(6-8-10)14(16)17;7-6-4-3-8-2-1-5(4)9-10-6;7-6-1-2-8-3-5(6)4-9;1-2-7-3-5-4-8-9-6(1)5;1-2-3(4)5;1-2/h5,8-15,17,20H,6-7,16,18H2,1-4H3;7-10,14H,5-6,11-12H2,1-4H3;6-7,9,11H,4-5,8,10H2,1-3H3;2-8,16-17H,1H3;1-3H,(H,9,10);1-4H;1-4H,(H,8,9);2H,1H2;/t20-;14-;11-;;;;;;/m101....../s1.
What are the key properties of 3-bromo-2H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate;[4-(2-chloro-3-methoxyphenoxy)phenyl]boronic acid;4-chloropyridine-3-carbaldehyde;molecular bromine;prop-2-enoyl chloride;1H-pyrazolo[4,5-c]pyridine?
3-bromo-2H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate;[4-(2-chloro-3-methoxyphenoxy)phenyl]boronic acid;4-chloropyridine-3-carbaldehyde;molecular bromine;prop-2-enoyl chloride;1H-pyrazolo[4,5-c]pyridine has a molecular weight of 2259.30 g/mol, XLogP of 22.67, 15 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2H-pyrazolo[4,3-c]pyridine;tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate;tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate;[4-(2-chloro-3-methoxyphenoxy)phenyl]boronic acid;4-chloropyridine-3-carbaldehyde;molecular bromine;prop-2-enoyl chloride;1H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 162132229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).