6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-4-(2-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridine-4-carbaldehyde;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-ol;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-one

C145H110Cl5N19O8 — CID 158771510

IUPAC6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-4-(2-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridine-4-carbaldehyde;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-ol;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-one
SMILESC#CC(=O)c1nc(Cl)cc2c1c(OC)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.C#CC(O)c1nc(Cl)cc2c1c(OC)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.COc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)nc(-c3ccn(C)n3)c12.COc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)nc(-c3ccnn3C)c12.COc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)nc(C=O)c12
InChIInChI=1S/2C30H24ClN5O.C29H22ClN3O2.C29H20ClN3O2.C27H20ClN3O2/c1-35-19-18-24(33-35)28-27-25(20-26(31)32-28)36(34-29(27)37-2)30(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;1-35-24(18-19-32-35)28-27-25(20-26(31)33-28)36(34-29(27)37-2)30(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;2*1-3-24(34)27-26-23(19-25(30)31-27)33(32-28(26)35-2)29(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;1-33-26-25-22(18-32)29-24(28)17-23(25)31(30-26)27(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2*3-20H,1-2H3;1,4-19,24,34H,2H3;1,4-19H,2H3;2-18H,1H3
InChIKeyIPXSENVOCRDQRK-UHFFFAOYSA-N
MW2423.86 g/mol
LogP29.76
Rot. Bonds30

About 6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-4-(2-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridine-4-carbaldehyde;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-ol;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-one

6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-4-(2-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridine-4-carbaldehyde;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-ol;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-one (PubChem CID 158771510) has the molecular formula C145H110Cl5N19O8 and a molecular weight of 2423.86 g/mol. Its IUPAC name is 6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-4-(2-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridine-4-carbaldehyde;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-ol;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-one.

Molecular Properties

Compound Name6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-4-(2-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridine-4-carbaldehyde;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-ol;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-one
PubChem CID158771510
Molecular FormulaC145H110Cl5N19O8
Molecular Weight2423.86 g/mol
Exact Mass2419.72
IUPAC Name6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-4-(2-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridine-4-carbaldehyde;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-ol;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-one
SMILESC#CC(=O)c1nc(Cl)cc2c1c(OC)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.C#CC(O)c1nc(Cl)cc2c1c(OC)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.COc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)nc(-c3ccn(C)n3)c12.COc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)nc(-c3ccnn3C)c12.COc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)nc(C=O)c12
InChIInChI=1S/2C30H24ClN5O.C29H22ClN3O2.C29H20ClN3O2.C27H20ClN3O2/c1-35-19-18-24(33-35)28-27-25(20-26(31)32-28)36(34-29(27)37-2)30(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;1-35-24(18-19-32-35)28-27-25(20-26(31)33-28)36(34-29(27)37-2)30(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;2*1-3-24(34)27-26-23(19-25(30)31-27)33(32-28(26)35-2)29(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;1-33-26-25-22(18-32)29-24(28)17-23(25)31(30-26)27(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2*3-20H,1-2H3;1,4-19,24,34H,2H3;1,4-19H,2H3;2-18H,1H3
InChIKeyIPXSENVOCRDQRK-UHFFFAOYSA-N
XLogP29.76
TPSA289.71 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds30
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002423.86
LogP ≤ 529.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-4-(2-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridine-4-carbaldehyde;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-ol;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-one with MolForge

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Related Compounds

6-[[6-Chloro-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid;6-[[6-chloro-2-(2-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid;6-[[6-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid;6-[[6-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid;6-[[6-chloro-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 160756157
6-[[6-Chloro-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid;6-[[6-chloro-2-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid;6-[[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid;6-[[6-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid;6-[[6-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 158592647
6-chloro-3-methyl-1-tritylpyrazolo[4,3-c]pyridine-4-carbaldehyde;3-methoxy-6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridine-4-carboxylic acid;3-methoxy-6-[(4S)-2-oxo-4-phenylpentyl]-1-tritylpyrazolo[4,3-c]pyridine-4-carboxylic acid;3-methyl-6-[(4S)-2-oxo-4-phenylpentyl]-1-tritylpyrazolo[4,5-c]pyridine-4-carbaldehyde
CID 160034309

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-4-(2-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridine-4-carbaldehyde;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-ol;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-one?
The IUPAC name of 6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-4-(2-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridine-4-carbaldehyde;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-ol;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-one (CID 158771510) is 6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-4-(2-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridine-4-carbaldehyde;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-ol;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-one.
What is the SMILES notation for 6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-4-(2-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridine-4-carbaldehyde;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-ol;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-one?
The canonical SMILES for 6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-4-(2-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridine-4-carbaldehyde;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-ol;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-one is C#CC(=O)c1nc(Cl)cc2c1c(OC)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.C#CC(O)c1nc(Cl)cc2c1c(OC)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.COc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)nc(-c3ccn(C)n3)c12.COc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)nc(-c3ccnn3C)c12.COc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)nc(C=O)c12.
What is the InChIKey of 6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-4-(2-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridine-4-carbaldehyde;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-ol;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-one?
The InChIKey is IPXSENVOCRDQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H24ClN5O.C29H22ClN3O2.C29H20ClN3O2.C27H20ClN3O2/c1-35-19-18-24(33-35)28-27-25(20-26(31)32-28)36(34-29(27)37-2)30(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;1-35-24(18-19-32-35)28-27-25(20-26(31)33-28)36(34-29(27)37-2)30(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;2*1-3-24(34)27-26-23(19-25(30)31-27)33(32-28(26)35-2)29(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;1-33-26-25-22(18-32)29-24(28)17-23(25)31(30-26)27(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2*3-20H,1-2H3;1,4-19,24,34H,2H3;1,4-19H,2H3;2-18H,1H3.
What are the key properties of 6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-4-(2-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridine-4-carbaldehyde;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-ol;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-one?
6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-4-(2-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridine-4-carbaldehyde;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-ol;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-one has a molecular weight of 2423.86 g/mol, XLogP of 29.76, 30 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-4-(2-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridine-4-carbaldehyde;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-ol;1-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)prop-2-yn-1-one is sourced from PubChem (CID 158771510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).