9-ethyl-6-methyl-2-thiophen-2-ylcarbazole;1-[(E)-3-[3-[4-[[1-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-3-methylphenyl]-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide

About 9-ethyl-6-methyl-2-thiophen-2-ylcarbazole;1-[(E)-3-[3-[4-[[1-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-3-methylphenyl]-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide

9-ethyl-6-methyl-2-thiophen-2-ylcarbazole;1-[(E)-3-[3-[4-[[1-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-3-methylphenyl]-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide (PubChem CID 171637841) has the molecular formula C58H67N9O8S and a molecular weight of 1050.30 g/mol. Its IUPAC name is 9-ethyl-6-methyl-2-thiophen-2-ylcarbazole;1-[(E)-3-[3-[4-[[1-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-3-methylphenyl]-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name	9-ethyl-6-methyl-2-thiophen-2-ylcarbazole;1-[(E)-3-[3-[4-[[1-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-3-methylphenyl]-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide
PubChem CID	171637841
Molecular Formula	C58H67N9O8S
Molecular Weight	1050.30 g/mol
Exact Mass	1049.48
IUPAC Name	9-ethyl-6-methyl-2-thiophen-2-ylcarbazole;1-[(E)-3-[3-[4-[[1-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-3-methylphenyl]-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide
SMILES	CCn1c2ccc(C)cc2c2ccc(-c3cccs3)cc21.Cc1cc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCCCC2C(N)=O)ccc1OCc1cn(CCOCCOCCOCCOCCNC=O)nn1
InChI	InChI=1S/C39H50N8O8.C19H17NS/c1-30-25-31(38-32(26-47(43-38)34-7-3-2-4-8-34)11-13-37(49)46-15-6-5-9-35(46)39(40)50)10-12-36(30)55-28-33-27-45(44-42-33)16-18-52-20-22-54-24-23-53-21-19-51-17-14-41-29-48;1-3-20-17-9-6-13(2)11-16(17)15-8-7-14(12-18(15)20)19-5-4-10-21-19/h2-4,7-8,10-13,25-27,29,35H,5-6,9,14-24,28H2,1H3,(H2,40,50)(H,41,48);4-12H,3H2,1-2H3/b13-11+;
InChIKey	BYQDVTKAFYSIEQ-BNSHTTSQSA-N
XLogP	8.56
TPSA	192.11 Å²
H-Bond Donors	2
H-Bond Acceptors	15
Rotatable Bonds	26
Heavy Atoms	76
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1050.30
LogP ≤ 5	8.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-methyl-2-thiophen-2-ylcarbazole;1-[(E)-3-[3-[4-[[1-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-3-methylphenyl]-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide?

The IUPAC name of 9-ethyl-6-methyl-2-thiophen-2-ylcarbazole;1-[(E)-3-[3-[4-[[1-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-3-methylphenyl]-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide (CID 171637841) is 9-ethyl-6-methyl-2-thiophen-2-ylcarbazole;1-[(E)-3-[3-[4-[[1-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-3-methylphenyl]-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide.

What is the SMILES notation for 9-ethyl-6-methyl-2-thiophen-2-ylcarbazole;1-[(E)-3-[3-[4-[[1-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-3-methylphenyl]-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide?

The canonical SMILES for 9-ethyl-6-methyl-2-thiophen-2-ylcarbazole;1-[(E)-3-[3-[4-[[1-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-3-methylphenyl]-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide is CCn1c2ccc(C)cc2c2ccc(-c3cccs3)cc21.Cc1cc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCCCC2C(N)=O)ccc1OCc1cn(CCOCCOCCOCCOCCNC=O)nn1.

What is the InChIKey of 9-ethyl-6-methyl-2-thiophen-2-ylcarbazole;1-[(E)-3-[3-[4-[[1-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-3-methylphenyl]-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide?

The InChIKey is BYQDVTKAFYSIEQ-BNSHTTSQSA-N. The full InChI is InChI=1S/C39H50N8O8.C19H17NS/c1-30-25-31(38-32(26-47(43-38)34-7-3-2-4-8-34)11-13-37(49)46-15-6-5-9-35(46)39(40)50)10-12-36(30)55-28-33-27-45(44-42-33)16-18-52-20-22-54-24-23-53-21-19-51-17-14-41-29-48;1-3-20-17-9-6-13(2)11-16(17)15-8-7-14(12-18(15)20)19-5-4-10-21-19/h2-4,7-8,10-13,25-27,29,35H,5-6,9,14-24,28H2,1H3,(H2,40,50)(H,41,48);4-12H,3H2,1-2H3/b13-11+;.

What are the key properties of 9-ethyl-6-methyl-2-thiophen-2-ylcarbazole;1-[(E)-3-[3-[4-[[1-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-3-methylphenyl]-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide?

9-ethyl-6-methyl-2-thiophen-2-ylcarbazole;1-[(E)-3-[3-[4-[[1-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-3-methylphenyl]-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide has a molecular weight of 1050.30 g/mol, XLogP of 8.56, 26 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 9-ethyl-6-methyl-2-thiophen-2-ylcarbazole;1-[(E)-3-[3-[4-[[1-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-3-methylphenyl]-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide is sourced from PubChem (CID 171637841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).