3-(cyclopropylmethyl)-7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5H-pyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-6-[2-(dimethylamino)ethyl]-1H-pyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine;5-[3-(2,3-difluorophenyl)imidazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine

C84H59Cl6F4N23O6 — CID 158352652

About 3-(cyclopropylmethyl)-7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5H-pyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-6-[2-(dimethylamino)ethyl]-1H-pyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine;5-[3-(2,3-difluorophenyl)imidazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine

3-(cyclopropylmethyl)-7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5H-pyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-6-[2-(dimethylamino)ethyl]-1H-pyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine;5-[3-(2,3-difluorophenyl)imidazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 158352652) has the molecular formula C84H59Cl6F4N23O6 and a molecular weight of 1775.26 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5H-pyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-6-[2-(dimethylamino)ethyl]-1H-pyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine;5-[3-(2,3-difluorophenyl)imidazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 3-(cyclopropylmethyl)-7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5H-pyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-6-[2-(dimethylamino)ethyl]-1H-pyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine;5-[3-(2,3-difluorophenyl)imidazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
• PubChem CID: 158352652
• Molecular Formula: C84H59Cl6F4N23O6
• Molecular Weight: 1775.26 g/mol
• Exact Mass: 1771.31
• IUPAC Name: 3-(cyclopropylmethyl)-7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5H-pyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-6-[2-(dimethylamino)ethyl]-1H-pyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine;5-[3-(2,3-difluorophenyl)imidazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
• SMILES: CN(C)CCn1ccc2c(-c3oncc3-c3cccc(Cl)c3Cl)c[nH]c2c1=O.Clc1cccc(-n2cnnc2-c2c[nH]c3nccnc23)c1Cl.Cn1cnc2c(-c3oncc3-c3cccc(Cl)c3Cl)c[nH]c2c1=O.Fc1cccc(-n2cncc2-c2c[nH]c3ncncc23)c1F.O=c1c2[nH]cc(-c3oncc3-c3cccc(F)c3F)c2ncn1CC1CC1
• InChI: InChI=1S/C20H18Cl2N4O2.C19H14F2N4O2.C16H10Cl2N4O2.C15H9F2N5.C14H8Cl2N6/c1-25(2)8-9-26-7-6-13-14(10-23-18(13)20(26)27)19-15(11-24-28-19)12-4-3-5-16(21)17(12)22;20-14-3-1-2-11(15(14)21)12-7-24-27-18(12)13-6-22-17-16(13)23-9-25(19(17)26)8-10-4-5-10;1-22-7-20-13-10(5-19-14(13)16(22)23)15-9(6-21-24-15)8-3-2-4-11(17)12(8)18;16-11-2-1-3-12(14(11)17)22-8-19-6-13(22)9-5-20-15-10(9)4-18-7-21-15;15-9-2-1-3-10(11(9)16)22-7-20-21-14(22)8-6-19-13-12(8)17-4-5-18-13/h3-7,10-11,23H,8-9H2,1-2H3;1-3,6-7,9-10,22H,4-5,8H2;2-7,19H,1H3;1-8H,(H,18,20,21);1-7H,(H,18,19)
• InChIKey: GSMUILFQSQAVQL-UHFFFAOYSA-N
• XLogP: 18.75
• TPSA: 352.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1775.26
LogP ≤ 5	18.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5H-pyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-6-[2-(dimethylamino)ethyl]-1H-pyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine;5-[3-(2,3-difluorophenyl)imidazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?

The IUPAC name of 3-(cyclopropylmethyl)-7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5H-pyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-6-[2-(dimethylamino)ethyl]-1H-pyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine;5-[3-(2,3-difluorophenyl)imidazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 158352652) is 3-(cyclopropylmethyl)-7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5H-pyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-6-[2-(dimethylamino)ethyl]-1H-pyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine;5-[3-(2,3-difluorophenyl)imidazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine.

What is the SMILES notation for 3-(cyclopropylmethyl)-7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5H-pyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-6-[2-(dimethylamino)ethyl]-1H-pyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine;5-[3-(2,3-difluorophenyl)imidazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?

The canonical SMILES for 3-(cyclopropylmethyl)-7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5H-pyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-6-[2-(dimethylamino)ethyl]-1H-pyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine;5-[3-(2,3-difluorophenyl)imidazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine is CN(C)CCn1ccc2c(-c3oncc3-c3cccc(Cl)c3Cl)c[nH]c2c1=O.Clc1cccc(-n2cnnc2-c2c[nH]c3nccnc23)c1Cl.Cn1cnc2c(-c3oncc3-c3cccc(Cl)c3Cl)c[nH]c2c1=O.Fc1cccc(-n2cncc2-c2c[nH]c3ncncc23)c1F.O=c1c2[nH]cc(-c3oncc3-c3cccc(F)c3F)c2ncn1CC1CC1.

What is the InChIKey of 3-(cyclopropylmethyl)-7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5H-pyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-6-[2-(dimethylamino)ethyl]-1H-pyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine;5-[3-(2,3-difluorophenyl)imidazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?

The InChIKey is GSMUILFQSQAVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O2.C19H14F2N4O2.C16H10Cl2N4O2.C15H9F2N5.C14H8Cl2N6/c1-25(2)8-9-26-7-6-13-14(10-23-18(13)20(26)27)19-15(11-24-28-19)12-4-3-5-16(21)17(12)22;20-14-3-1-2-11(15(14)21)12-7-24-27-18(12)13-6-22-17-16(13)23-9-25(19(17)26)8-10-4-5-10;1-22-7-20-13-10(5-19-14(13)16(22)23)15-9(6-21-24-15)8-3-2-4-11(17)12(8)18;16-11-2-1-3-12(14(11)17)22-8-19-6-13(22)9-5-20-15-10(9)4-18-7-21-15;15-9-2-1-3-10(11(9)16)22-7-20-21-14(22)8-6-19-13-12(8)17-4-5-18-13/h3-7,10-11,23H,8-9H2,1-2H3;1-3,6-7,9-10,22H,4-5,8H2;2-7,19H,1H3;1-8H,(H,18,20,21);1-7H,(H,18,19).

What are the key properties of 3-(cyclopropylmethyl)-7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5H-pyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-6-[2-(dimethylamino)ethyl]-1H-pyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine;5-[3-(2,3-difluorophenyl)imidazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?

3-(cyclopropylmethyl)-7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5H-pyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-6-[2-(dimethylamino)ethyl]-1H-pyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine;5-[3-(2,3-difluorophenyl)imidazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 1775.26 g/mol, XLogP of 18.75, 15 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclopropylmethyl)-7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5H-pyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-6-[2-(dimethylamino)ethyl]-1H-pyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine;5-[3-(2,3-difluorophenyl)imidazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 158352652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).