acetic acid;4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[(E)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-prop-2-enylpiperazine-1-carboxylate;methane;palladium;4-[(E)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride

C73H97BrClN9O8Pd — CID 157241476

About acetic acid;4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[(E)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-prop-2-enylpiperazine-1-carboxylate;methane;palladium;4-[(E)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride

acetic acid;4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[(E)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-prop-2-enylpiperazine-1-carboxylate;methane;palladium;4-[(E)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride (PubChem CID 157241476) has the molecular formula C73H97BrClN9O8Pd and a molecular weight of 1450.41 g/mol. Its IUPAC name is acetic acid;4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[(E)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-prop-2-enylpiperazine-1-carboxylate;methane;palladium;4-[(E)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride.

Molecular Properties

• Compound Name: acetic acid;4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[(E)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-prop-2-enylpiperazine-1-carboxylate;methane;palladium;4-[(E)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride
• PubChem CID: 157241476
• Molecular Formula: C73H97BrClN9O8Pd
• Molecular Weight: 1450.41 g/mol
• Exact Mass: 1447.54
• IUPAC Name: acetic acid;4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[(E)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-prop-2-enylpiperazine-1-carboxylate;methane;palladium;4-[(E)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride
• SMILES: Brc1ccnc2c1-c1ccccc1C2.C.C.C(=C/c1ccnc2c1-c1ccccc1C2)\CN1CCNCC1.C=CCN1CCN(C(=O)OC(C)(C)C)CC1.CC(=O)O.CC(=O)O.CC(C)(C)OC(=O)N1CCN(C/C=C/c2ccnc3c2-c2ccccc2C3)CC1.Cl.[Pd]
• InChI: InChI=1S/C24H29N3O2.C19H21N3.C12H8BrN.C12H22N2O2.2C2H4O2.2CH4.ClH.Pd/c1-24(2,3)29-23(28)27-15-13-26(14-16-27)12-6-8-18-10-11-25-21-17-19-7-4-5-9-20(19)22(18)21;1-2-6-17-16(4-1)14-18-19(17)15(7-8-21-18)5-3-11-22-12-9-20-10-13-22;13-10-5-6-14-11-7-8-3-1-2-4-9(8)12(10)11;1-5-6-13-7-9-14(10-8-13)11(15)16-12(2,3)4;2*1-2(3)4;;;;/h4-11H,12-17H2,1-3H3;1-8,20H,9-14H2;1-6H,7H2;5H,1,6-10H2,2-4H3;2*1H3,(H,3,4);2*1H4;1H;/b8-6+;5-3+
• InChIKey: HJFKNRVPSMBZME-DZJYRLGASA-N
• XLogP: 13.80
• TPSA: 194.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1450.41
LogP ≤ 5	13.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[(E)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-prop-2-enylpiperazine-1-carboxylate;methane;palladium;4-[(E)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride?

The IUPAC name of acetic acid;4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[(E)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-prop-2-enylpiperazine-1-carboxylate;methane;palladium;4-[(E)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride (CID 157241476) is acetic acid;4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[(E)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-prop-2-enylpiperazine-1-carboxylate;methane;palladium;4-[(E)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride.

What is the SMILES notation for acetic acid;4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[(E)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-prop-2-enylpiperazine-1-carboxylate;methane;palladium;4-[(E)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride?

The canonical SMILES for acetic acid;4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[(E)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-prop-2-enylpiperazine-1-carboxylate;methane;palladium;4-[(E)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride is Brc1ccnc2c1-c1ccccc1C2.C.C.C(=C/c1ccnc2c1-c1ccccc1C2)\CN1CCNCC1.C=CCN1CCN(C(=O)OC(C)(C)C)CC1.CC(=O)O.CC(=O)O.CC(C)(C)OC(=O)N1CCN(C/C=C/c2ccnc3c2-c2ccccc2C3)CC1.Cl.[Pd].

What is the InChIKey of acetic acid;4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[(E)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-prop-2-enylpiperazine-1-carboxylate;methane;palladium;4-[(E)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride?

The InChIKey is HJFKNRVPSMBZME-DZJYRLGASA-N. The full InChI is InChI=1S/C24H29N3O2.C19H21N3.C12H8BrN.C12H22N2O2.2C2H4O2.2CH4.ClH.Pd/c1-24(2,3)29-23(28)27-15-13-26(14-16-27)12-6-8-18-10-11-25-21-17-19-7-4-5-9-20(19)22(18)21;1-2-6-17-16(4-1)14-18-19(17)15(7-8-21-18)5-3-11-22-12-9-20-10-13-22;13-10-5-6-14-11-7-8-3-1-2-4-9(8)12(10)11;1-5-6-13-7-9-14(10-8-13)11(15)16-12(2,3)4;2*1-2(3)4;;;;/h4-11H,12-17H2,1-3H3;1-8,20H,9-14H2;1-6H,7H2;5H,1,6-10H2,2-4H3;2*1H3,(H,3,4);2*1H4;1H;/b8-6+;5-3+;;;;;;;;.

What are the key properties of acetic acid;4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[(E)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-prop-2-enylpiperazine-1-carboxylate;methane;palladium;4-[(E)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride?

acetic acid;4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[(E)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-prop-2-enylpiperazine-1-carboxylate;methane;palladium;4-[(E)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride has a molecular weight of 1450.41 g/mol, XLogP of 13.80, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[(E)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-prop-2-enylpiperazine-1-carboxylate;methane;palladium;4-[(E)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride is sourced from PubChem (CID 157241476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).