N-[2-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]-4-methylthiadiazole-5-carboxamide

C27H30N8O4S — CID 3869147

About N-[2-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]-4-methylthiadiazole-5-carboxamide

N-[2-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]-4-methylthiadiazole-5-carboxamide (PubChem CID 3869147) has the molecular formula C27H30N8O4S and a molecular weight of 562.66 g/mol. Its IUPAC name is N-[2-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]-4-methylthiadiazole-5-carboxamide
• PubChem CID: 3869147
• Molecular Formula: C27H30N8O4S
• Molecular Weight: 562.66 g/mol
• Exact Mass: 562.21
• IUPAC Name: N-[2-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]-4-methylthiadiazole-5-carboxamide
• SMILES: Cc1nnsc1C(=O)NC1CCN(C(=O)c2cccn2C)C(C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)C1
• InChI: InChI=1S/C27H30N8O4S/c1-15-23(40-33-32-15)26(38)30-17-9-11-35(27(39)21-8-5-10-34(21)2)22(13-17)25(37)31-20(24(28)36)12-16-14-29-19-7-4-3-6-18(16)19/h3-8,10,14,17,20,22,29H,9,11-13H2,1-2H3,(H2,28,36)(H,30,38)(H,31,37)
• InChIKey: GGDSSIKVXUADLP-UHFFFAOYSA-N
• XLogP: 1.28
• TPSA: 168.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.66
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]-4-methylthiadiazole-5-carboxamide?

The IUPAC name of N-[2-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]-4-methylthiadiazole-5-carboxamide (CID 3869147) is N-[2-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]-4-methylthiadiazole-5-carboxamide.

What is the SMILES notation for N-[2-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]-4-methylthiadiazole-5-carboxamide?

The canonical SMILES for N-[2-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC1CCN(C(=O)c2cccn2C)C(C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)C1.

What is the InChIKey of N-[2-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]-4-methylthiadiazole-5-carboxamide?

The InChIKey is GGDSSIKVXUADLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O4S/c1-15-23(40-33-32-15)26(38)30-17-9-11-35(27(39)21-8-5-10-34(21)2)22(13-17)25(37)31-20(24(28)36)12-16-14-29-19-7-4-3-6-18(16)19/h3-8,10,14,17,20,22,29H,9,11-13H2,1-2H3,(H2,28,36)(H,30,38)(H,31,37).

What are the key properties of N-[2-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]-4-methylthiadiazole-5-carboxamide?

N-[2-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 562.66 g/mol, XLogP of 1.28, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 3869147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).