oxolane-2-carboxylic acid;oxolan-2-yl-[4-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperazin-1-yl]methanone;piperazin-1-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone

C54H56N14O7 — CID 157163993

About oxolane-2-carboxylic acid;oxolan-2-yl-[4-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperazin-1-yl]methanone;piperazin-1-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone

oxolane-2-carboxylic acid;oxolan-2-yl-[4-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperazin-1-yl]methanone;piperazin-1-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone (PubChem CID 157163993) has the molecular formula C54H56N14O7 and a molecular weight of 1013.13 g/mol. Its IUPAC name is oxolane-2-carboxylic acid;oxolan-2-yl-[4-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperazin-1-yl]methanone;piperazin-1-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone.

Molecular Properties

• Compound Name: oxolane-2-carboxylic acid;oxolan-2-yl-[4-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperazin-1-yl]methanone;piperazin-1-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
• PubChem CID: 157163993
• Molecular Formula: C54H56N14O7
• Molecular Weight: 1013.13 g/mol
• Exact Mass: 1012.45
• IUPAC Name: oxolane-2-carboxylic acid;oxolan-2-yl-[4-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperazin-1-yl]methanone;piperazin-1-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
• SMILES: O=C(O)C1CCCO1.O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCN(C(=O)C2CCCO2)CC1.O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCNCC1
• InChI: InChI=1S/C27H27N7O3.C22H21N7O.C5H8O3/c35-25(33-11-13-34(14-12-33)26(36)24-5-3-15-37-24)23-17-18-16-19(6-7-20(18)31-23)30-27-29-10-8-22(32-27)21-4-1-2-9-28-21;30-21(29-11-9-23-10-12-29)20-14-15-13-16(4-5-17(15)27-20)26-22-25-8-6-19(28-22)18-3-1-2-7-24-18;6-5(7)4-2-1-3-8-4/h1-2,4,6-10,16-17,24,31H,3,5,11-15H2,(H,29,30,32);1-8,13-14,23,27H,9-12H2,(H,25,26,28);4H,1-3H2,(H,6,7)
• InChIKey: AMRVTTDHRKKQLI-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 261.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1013.13
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of oxolane-2-carboxylic acid;oxolan-2-yl-[4-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperazin-1-yl]methanone;piperazin-1-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone?

The IUPAC name of oxolane-2-carboxylic acid;oxolan-2-yl-[4-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperazin-1-yl]methanone;piperazin-1-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone (CID 157163993) is oxolane-2-carboxylic acid;oxolan-2-yl-[4-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperazin-1-yl]methanone;piperazin-1-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone.

What is the SMILES notation for oxolane-2-carboxylic acid;oxolan-2-yl-[4-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperazin-1-yl]methanone;piperazin-1-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone?

The canonical SMILES for oxolane-2-carboxylic acid;oxolan-2-yl-[4-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperazin-1-yl]methanone;piperazin-1-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone is O=C(O)C1CCCO1.O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCN(C(=O)C2CCCO2)CC1.O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCNCC1.

What is the InChIKey of oxolane-2-carboxylic acid;oxolan-2-yl-[4-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperazin-1-yl]methanone;piperazin-1-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone?

The InChIKey is AMRVTTDHRKKQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O3.C22H21N7O.C5H8O3/c35-25(33-11-13-34(14-12-33)26(36)24-5-3-15-37-24)23-17-18-16-19(6-7-20(18)31-23)30-27-29-10-8-22(32-27)21-4-1-2-9-28-21;30-21(29-11-9-23-10-12-29)20-14-15-13-16(4-5-17(15)27-20)26-22-25-8-6-19(28-22)18-3-1-2-7-24-18;6-5(7)4-2-1-3-8-4/h1-2,4,6-10,16-17,24,31H,3,5,11-15H2,(H,29,30,32);1-8,13-14,23,27H,9-12H2,(H,25,26,28);4H,1-3H2,(H,6,7).

What are the key properties of oxolane-2-carboxylic acid;oxolan-2-yl-[4-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperazin-1-yl]methanone;piperazin-1-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone?

oxolane-2-carboxylic acid;oxolan-2-yl-[4-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperazin-1-yl]methanone;piperazin-1-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone has a molecular weight of 1013.13 g/mol, XLogP of 6.29, 10 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for oxolane-2-carboxylic acid;oxolan-2-yl-[4-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperazin-1-yl]methanone;piperazin-1-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone is sourced from PubChem (CID 157163993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).