6-(2,6-dichlorophenyl)-2-[[1-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydropyrrol-4-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one

C27H31Cl2N7O3 — CID 143658351

About 6-(2,6-dichlorophenyl)-2-[[1-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydropyrrol-4-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one

6-(2,6-dichlorophenyl)-2-[[1-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydropyrrol-4-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one (PubChem CID 143658351) has the molecular formula C27H31Cl2N7O3 and a molecular weight of 572.50 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-2-[[1-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydropyrrol-4-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2,6-dichlorophenyl)-2-[[1-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydropyrrol-4-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 143658351
• Molecular Formula: C27H31Cl2N7O3
• Molecular Weight: 572.50 g/mol
• Exact Mass: 571.19
• IUPAC Name: 6-(2,6-dichlorophenyl)-2-[[1-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydropyrrol-4-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
• SMILES: CCN1CCN(C(=O)C2CC(Nc3ncc4cc(-c5c(Cl)cccc5Cl)c(=O)n(OC)c4n3)=CN2CC)CC1
• InChI: InChI=1S/C27H31Cl2N7O3/c1-4-33-9-11-35(12-10-33)26(38)22-14-18(16-34(22)5-2)31-27-30-15-17-13-19(23-20(28)7-6-8-21(23)29)25(37)36(39-3)24(17)32-27/h6-8,13,15-16,22H,4-5,9-12,14H2,1-3H3,(H,30,31,32)
• InChIKey: CNHGMAWLOSFZMF-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 95.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.50
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-2-[[1-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydropyrrol-4-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2,6-dichlorophenyl)-2-[[1-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydropyrrol-4-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one (CID 143658351) is 6-(2,6-dichlorophenyl)-2-[[1-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydropyrrol-4-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2,6-dichlorophenyl)-2-[[1-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydropyrrol-4-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2,6-dichlorophenyl)-2-[[1-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydropyrrol-4-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one is CCN1CCN(C(=O)C2CC(Nc3ncc4cc(-c5c(Cl)cccc5Cl)c(=O)n(OC)c4n3)=CN2CC)CC1.

What is the InChIKey of 6-(2,6-dichlorophenyl)-2-[[1-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydropyrrol-4-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one?

The InChIKey is CNHGMAWLOSFZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31Cl2N7O3/c1-4-33-9-11-35(12-10-33)26(38)22-14-18(16-34(22)5-2)31-27-30-15-17-13-19(23-20(28)7-6-8-21(23)29)25(37)36(39-3)24(17)32-27/h6-8,13,15-16,22H,4-5,9-12,14H2,1-3H3,(H,30,31,32).

What are the key properties of 6-(2,6-dichlorophenyl)-2-[[1-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydropyrrol-4-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one?

6-(2,6-dichlorophenyl)-2-[[1-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydropyrrol-4-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one has a molecular weight of 572.50 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,6-dichlorophenyl)-2-[[1-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydropyrrol-4-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 143658351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).