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

C131H105Br5N16O7 — CID 159092612

IUPAC3-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
SMILESCOC(=O)c1cc2c(cn1)C(Br)=NC2.COC(=O)c1cc2c(cn1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.C[C@@H](CC(=O)Cc1cc2c(cn1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.C[C@H](N)c1ccccc1.Nc1cc2c(cn1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(O)c1cc2c(cn1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H30BrN3O.C27H20BrN3O2.C26H18BrN3O2.C25H19BrN4.C9H7BrN2O2.C8H11N/c1-26(27-14-6-2-7-15-27)22-32(41)23-31-24-34-33(25-38-31)35(37)39-40(34)36(28-16-8-3-9-17-28,29-18-10-4-11-19-29)30-20-12-5-13-21-30;1-33-26(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;1-7(9)8-5-3-2-4-6-8/h2-21,24-26H,22-23H2,1H3;2-18H,1H3;1-17H,(H,31,32);1-17H,(H2,27,28);2,4H,3H2,1H3;2-7H,9H2,1H3/t26-;;;;;7-/m0....0/s1
InChIKeyKCGJAZIOTBHFHX-BKZQEEDCSA-N
MW2414.91 g/mol
LogP28.74
Rot. Bonds25

About 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

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 (PubChem CID 159092612) has the molecular formula C131H105Br5N16O7 and a molecular weight of 2414.91 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;(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.

Molecular Properties

Compound Name3-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
PubChem CID159092612
Molecular FormulaC131H105Br5N16O7
Molecular Weight2414.91 g/mol
Exact Mass2408.43
IUPAC Name3-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
SMILESCOC(=O)c1cc2c(cn1)C(Br)=NC2.COC(=O)c1cc2c(cn1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.C[C@@H](CC(=O)Cc1cc2c(cn1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.C[C@H](N)c1ccccc1.Nc1cc2c(cn1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(O)c1cc2c(cn1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H30BrN3O.C27H20BrN3O2.C26H18BrN3O2.C25H19BrN4.C9H7BrN2O2.C8H11N/c1-26(27-14-6-2-7-15-27)22-32(41)23-31-24-34-33(25-38-31)35(37)39-40(34)36(28-16-8-3-9-17-28,29-18-10-4-11-19-29)30-20-12-5-13-21-30;1-33-26(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;1-7(9)8-5-3-2-4-6-8/h2-21,24-26H,22-23H2,1H3;2-18H,1H3;1-17H,(H,31,32);1-17H,(H2,27,28);2,4H,3H2,1H3;2-7H,9H2,1H3/t26-;;;;;7-/m0....0/s1
InChIKeyKCGJAZIOTBHFHX-BKZQEEDCSA-N
XLogP28.74
TPSA307.10 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002414.91
LogP ≤ 528.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

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;(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 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;methyl 3-bromo-1H-pyrrolo[3,4-c]pyridine-6-carboxylate;methyl 3-bromo-1-tritylpyrazolo[4,3-c]pyridine-6-carboxylate
CID 157263967
(Z)-3-aminobut-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;bis(methyl 3-[(5-methyl-1-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylate);methyl 3-[(5-methyl-2-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylate;5-methyl-1-phenylpyrazol-3-amine;5-methyl-2-phenylpyrazol-3-amine;3-[(5-methyl-2-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid;phenylmethanamine
CID 161030106

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;(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?
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;(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) is 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.
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;(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?
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;(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 is COC(=O)c1cc2c(cn1)C(Br)=NC2.COC(=O)c1cc2c(cn1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.C[C@@H](CC(=O)Cc1cc2c(cn1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.C[C@H](N)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;(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?
The InChIKey is KCGJAZIOTBHFHX-BKZQEEDCSA-N. The full InChI is InChI=1S/C36H30BrN3O.C27H20BrN3O2.C26H18BrN3O2.C25H19BrN4.C9H7BrN2O2.C8H11N/c1-26(27-14-6-2-7-15-27)22-32(41)23-31-24-34-33(25-38-31)35(37)39-40(34)36(28-16-8-3-9-17-28,29-18-10-4-11-19-29)30-20-12-5-13-21-30;1-33-26(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;1-7(9)8-5-3-2-4-6-8/h2-21,24-26H,22-23H2,1H3;2-18H,1H3;1-17H,(H,31,32);1-17H,(H2,27,28);2,4H,3H2,1H3;2-7H,9H2,1H3/t26-;;;;;7-/m0....0/s1.
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;(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?
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 has a molecular weight of 2414.91 g/mol, XLogP of 28.74, 25 rotatable bonds, 3 hydrogen bond donors, and 22 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;(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 is sourced from PubChem (CID 159092612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).