3-bromo-1-tritylpyrazolo[4,3-c]pyridin-6-amine;3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylic acid;methyl 3-bromo-1H-pyrrolo[3,4-c]pyridine-6-carboxylate;methyl 3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylate

C87H64Br4N12O6 — CID 157263967

IUPAC3-bromo-1-tritylpyrazolo[4,3-c]pyridin-6-amine;3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylic acid;methyl 3-bromo-1H-pyrrolo[3,4-c]pyridine-6-carboxylate;methyl 3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2c(cn1)C(Br)=NC2.COC(=O)c1cc2c(cn1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.Nc1cc2c(cn1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(O)c1cc2c(cn1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H20BrN3O2.C26H18BrN3O2.C25H19BrN4.C9H7BrN2O2/c1-33-26(32)23-17-24-22(18-29-23)25(28)30-31(24)27(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;27-24-21-17-28-22(25(31)32)16-23(21)30(29-24)26(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;26-24-21-17-28-23(27)16-22(21)30(29-24)25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-14-9(13)7-2-5-3-12-8(10)6(5)4-11-7/h2-18H,1H3;1-17H,(H,31,32);1-17H,(H2,27,28);2,4H,3H2,1H3
InChIKeyAXUAQFRVPZUVDK-UHFFFAOYSA-N
MW1693.16 g/mol
LogP18.69
Rot. Bonds15

About 3-bromo-1-tritylpyrazolo[4,3-c]pyridin-6-amine;3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylic acid;methyl 3-bromo-1H-pyrrolo[3,4-c]pyridine-6-carboxylate;methyl 3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylate

3-bromo-1-tritylpyrazolo[4,3-c]pyridin-6-amine;3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylic acid;methyl 3-bromo-1H-pyrrolo[3,4-c]pyridine-6-carboxylate;methyl 3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylate (PubChem CID 157263967) has the molecular formula C87H64Br4N12O6 and a molecular weight of 1693.16 g/mol. Its IUPAC name is 3-bromo-1-tritylpyrazolo[4,3-c]pyridin-6-amine;3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylic acid;methyl 3-bromo-1H-pyrrolo[3,4-c]pyridine-6-carboxylate;methyl 3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Name3-bromo-1-tritylpyrazolo[4,3-c]pyridin-6-amine;3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylic acid;methyl 3-bromo-1H-pyrrolo[3,4-c]pyridine-6-carboxylate;methyl 3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylate
PubChem CID157263967
Molecular FormulaC87H64Br4N12O6
Molecular Weight1693.16 g/mol
Exact Mass1688.18
IUPAC Name3-bromo-1-tritylpyrazolo[4,3-c]pyridin-6-amine;3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylic acid;methyl 3-bromo-1H-pyrrolo[3,4-c]pyridine-6-carboxylate;methyl 3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2c(cn1)C(Br)=NC2.COC(=O)c1cc2c(cn1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.Nc1cc2c(cn1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(O)c1cc2c(cn1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H20BrN3O2.C26H18BrN3O2.C25H19BrN4.C9H7BrN2O2/c1-33-26(32)23-17-24-22(18-29-23)25(28)30-31(24)27(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;27-24-21-17-28-22(25(31)32)16-23(21)30(29-24)26(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;26-24-21-17-28-23(27)16-22(21)30(29-24)25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-14-9(13)7-2-5-3-12-8(10)6(5)4-11-7/h2-18H,1H3;1-17H,(H,31,32);1-17H,(H2,27,28);2,4H,3H2,1H3
InChIKeyAXUAQFRVPZUVDK-UHFFFAOYSA-N
XLogP18.69
TPSA233.30 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001693.16
LogP ≤ 518.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 3-bromo-1-tritylpyrazolo[4,3-c]pyridin-6-amine;3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylic acid;methyl 3-bromo-1H-pyrrolo[3,4-c]pyridine-6-carboxylate;methyl 3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylate with MolForge

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Related Compounds

3-bromo-1-tritylpyrazolo[4,3-c]pyridin-6-amine;3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylic acid;(4S)-1-(3-bromo-1-tritylpyrazolo[4,3-c]pyridin-6-yl)-4-phenylpentan-2-one;methyl 3-bromo-1H-pyrrolo[3,4-c]pyridine-6-carboxylate;methyl 3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylate;(1S)-1-phenylethanamine
CID 159092612
Methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine-4-carboxylate;1-methyl-3-phenylpyrazol-5-amine;3-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid
CID 159486109
(1,2-dibromo-2-isocyanoethyl)benzene;[(E)-2-isocyanoethenyl]benzene;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1-methyl-5-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylate;1-methyl-3-phenylpyrazol-5-amine;bis(1-methyl-5-phenylpyrazol-3-amine);3-[(1-methyl-5-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 162207780

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-tritylpyrazolo[4,3-c]pyridin-6-amine;3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylic acid;methyl 3-bromo-1H-pyrrolo[3,4-c]pyridine-6-carboxylate;methyl 3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylate?
The IUPAC name of 3-bromo-1-tritylpyrazolo[4,3-c]pyridin-6-amine;3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylic acid;methyl 3-bromo-1H-pyrrolo[3,4-c]pyridine-6-carboxylate;methyl 3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylate (CID 157263967) is 3-bromo-1-tritylpyrazolo[4,3-c]pyridin-6-amine;3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylic acid;methyl 3-bromo-1H-pyrrolo[3,4-c]pyridine-6-carboxylate;methyl 3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylate.
What is the SMILES notation for 3-bromo-1-tritylpyrazolo[4,3-c]pyridin-6-amine;3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylic acid;methyl 3-bromo-1H-pyrrolo[3,4-c]pyridine-6-carboxylate;methyl 3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylate?
The canonical SMILES for 3-bromo-1-tritylpyrazolo[4,3-c]pyridin-6-amine;3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylic acid;methyl 3-bromo-1H-pyrrolo[3,4-c]pyridine-6-carboxylate;methyl 3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylate is COC(=O)c1cc2c(cn1)C(Br)=NC2.COC(=O)c1cc2c(cn1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.Nc1cc2c(cn1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(O)c1cc2c(cn1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-bromo-1-tritylpyrazolo[4,3-c]pyridin-6-amine;3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylic acid;methyl 3-bromo-1H-pyrrolo[3,4-c]pyridine-6-carboxylate;methyl 3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylate?
The InChIKey is AXUAQFRVPZUVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20BrN3O2.C26H18BrN3O2.C25H19BrN4.C9H7BrN2O2/c1-33-26(32)23-17-24-22(18-29-23)25(28)30-31(24)27(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;27-24-21-17-28-22(25(31)32)16-23(21)30(29-24)26(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;26-24-21-17-28-23(27)16-22(21)30(29-24)25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-14-9(13)7-2-5-3-12-8(10)6(5)4-11-7/h2-18H,1H3;1-17H,(H,31,32);1-17H,(H2,27,28);2,4H,3H2,1H3.
What are the key properties of 3-bromo-1-tritylpyrazolo[4,3-c]pyridin-6-amine;3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylic acid;methyl 3-bromo-1H-pyrrolo[3,4-c]pyridine-6-carboxylate;methyl 3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylate?
3-bromo-1-tritylpyrazolo[4,3-c]pyridin-6-amine;3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylic acid;methyl 3-bromo-1H-pyrrolo[3,4-c]pyridine-6-carboxylate;methyl 3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylate has a molecular weight of 1693.16 g/mol, XLogP of 18.69, 15 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-tritylpyrazolo[4,3-c]pyridin-6-amine;3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylic acid;methyl 3-bromo-1H-pyrrolo[3,4-c]pyridine-6-carboxylate;methyl 3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 157263967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).