2-[[5-(aminomethyl)-6-[(4,5-diethyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]amino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one

C27H26Cl2N8O2 — CID 175951432

About 2-[[5-(aminomethyl)-6-[(4,5-diethyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]amino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one

2-[[5-(aminomethyl)-6-[(4,5-diethyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]amino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 175951432) has the molecular formula C27H26Cl2N8O2 and a molecular weight of 565.47 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)-6-[(4,5-diethyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]amino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-[[5-(aminomethyl)-6-[(4,5-diethyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]amino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 175951432
• Molecular Formula: C27H26Cl2N8O2
• Molecular Weight: 565.47 g/mol
• Exact Mass: 564.16
• IUPAC Name: 2-[[5-(aminomethyl)-6-[(4,5-diethyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]amino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
• SMILES: CCc1[nH]nc(Oc2ncc(Nc3ncc4cc(-c5c(Cl)cccc5Cl)c(=O)n(C)c4n3)cc2CN)c1CC
• InChI: InChI=1S/C27H26Cl2N8O2/c1-4-17-21(5-2)35-36-25(17)39-24-14(11-30)9-16(13-31-24)33-27-32-12-15-10-18(26(38)37(3)23(15)34-27)22-19(28)7-6-8-20(22)29/h6-10,12-13H,4-5,11,30H2,1-3H3,(H,35,36)(H,32,33,34)
• InChIKey: ZNWMXECLHOFBNB-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 136.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.47
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)-6-[(4,5-diethyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]amino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 2-[[5-(aminomethyl)-6-[(4,5-diethyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]amino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 175951432) is 2-[[5-(aminomethyl)-6-[(4,5-diethyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]amino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 2-[[5-(aminomethyl)-6-[(4,5-diethyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]amino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 2-[[5-(aminomethyl)-6-[(4,5-diethyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]amino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one is CCc1[nH]nc(Oc2ncc(Nc3ncc4cc(-c5c(Cl)cccc5Cl)c(=O)n(C)c4n3)cc2CN)c1CC.

What is the InChIKey of 2-[[5-(aminomethyl)-6-[(4,5-diethyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]amino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?

The InChIKey is ZNWMXECLHOFBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2N8O2/c1-4-17-21(5-2)35-36-25(17)39-24-14(11-30)9-16(13-31-24)33-27-32-12-15-10-18(26(38)37(3)23(15)34-27)22-19(28)7-6-8-20(22)29/h6-10,12-13H,4-5,11,30H2,1-3H3,(H,35,36)(H,32,33,34).

What are the key properties of 2-[[5-(aminomethyl)-6-[(4,5-diethyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]amino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?

2-[[5-(aminomethyl)-6-[(4,5-diethyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]amino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 565.47 g/mol, XLogP of 5.54, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(aminomethyl)-6-[(4,5-diethyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]amino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 175951432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).