2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;ethane

C28H38ClN7O2S — CID 143323519

About 2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;ethane

2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;ethane (PubChem CID 143323519) has the molecular formula C28H38ClN7O2S and a molecular weight of 572.18 g/mol. Its IUPAC name is 2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;ethane.

Molecular Properties

• Compound Name: 2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;ethane
• PubChem CID: 143323519
• Molecular Formula: C28H38ClN7O2S
• Molecular Weight: 572.18 g/mol
• Exact Mass: 571.25
• IUPAC Name: 2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;ethane
• SMILES: CC.CN(C)S(=O)(=O)CCN1CC(C)(C)c2ccc(Nc3ncnc4c3CCN(c3ncccc3Cl)C4)cc21
• InChI: InChI=1S/C26H32ClN7O2S.C2H6/c1-26(2)16-34(12-13-37(35,36)32(3)4)23-14-18(7-8-20(23)26)31-24-19-9-11-33(15-22(19)29-17-30-24)25-21(27)6-5-10-28-25;1-2/h5-8,10,14,17H,9,11-13,15-16H2,1-4H3,(H,29,30,31);1-2H3
• InChIKey: GPKSRRSJPFKPLF-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 94.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.18
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;ethane?

The IUPAC name of 2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;ethane (CID 143323519) is 2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;ethane.

What is the SMILES notation for 2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;ethane?

The canonical SMILES for 2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;ethane is CC.CN(C)S(=O)(=O)CCN1CC(C)(C)c2ccc(Nc3ncnc4c3CCN(c3ncccc3Cl)C4)cc21.

What is the InChIKey of 2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;ethane?

The InChIKey is GPKSRRSJPFKPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN7O2S.C2H6/c1-26(2)16-34(12-13-37(35,36)32(3)4)23-14-18(7-8-20(23)26)31-24-19-9-11-33(15-22(19)29-17-30-24)25-21(27)6-5-10-28-25;1-2/h5-8,10,14,17H,9,11-13,15-16H2,1-4H3,(H,29,30,31);1-2H3.

What are the key properties of 2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;ethane?

2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;ethane has a molecular weight of 572.18 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;ethane is sourced from PubChem (CID 143323519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).