N-[3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]phenyl]-N-methylacetamide;N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-pyridinyl]-N-methylacetamide;4-[6-methoxy-2-methyl-4-(4-piperidin-4-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

C108H104N22O10 — CID 159345873

About N-[3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]phenyl]-N-methylacetamide;N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-pyridinyl]-N-methylacetamide;4-[6-methoxy-2-methyl-4-(4-piperidin-4-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

N-[3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]phenyl]-N-methylacetamide;N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-pyridinyl]-N-methylacetamide;4-[6-methoxy-2-methyl-4-(4-piperidin-4-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 159345873) has the molecular formula C108H104N22O10 and a molecular weight of 1870.16 g/mol. Its IUPAC name is N-[3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]phenyl]-N-methylacetamide;N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-pyridinyl]-N-methylacetamide;4-[6-methoxy-2-methyl-4-(4-piperidin-4-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: N-[3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]phenyl]-N-methylacetamide;N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-pyridinyl]-N-methylacetamide;4-[6-methoxy-2-methyl-4-(4-piperidin-4-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 159345873
• Molecular Formula: C108H104N22O10
• Molecular Weight: 1870.16 g/mol
• Exact Mass: 1868.83
• IUPAC Name: N-[3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]phenyl]-N-methylacetamide;N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-pyridinyl]-N-methylacetamide;4-[6-methoxy-2-methyl-4-(4-piperidin-4-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(C4CCNCC4)c4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cccc(N(C)C(C)=O)c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc(N(C)C(C)=O)c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4c3CCCN4)c12
• InChI: InChI=1S/C32H31N5O2.C26H25N5O3.C25H24N6O3.C25H24N6O2/c1-17-29(18(2)39-37-17)26-15-27-25(16-28(26)38-4)30-31(34-19(3)35-32(30)36-27)24-10-9-21(20-11-13-33-14-12-20)22-7-5-6-8-23(22)24;1-13-23(14(2)34-30-13)20-11-21-19(12-22(20)33-6)24-25(27-15(3)28-26(24)29-21)17-8-7-9-18(10-17)31(5)16(4)32;1-12-22(13(2)34-30-12)18-10-19-17(11-20(18)33-6)23-24(27-14(3)28-25(23)29-19)16-7-8-26-21(9-16)31(5)15(4)32;1-12-21(13(2)33-31-12)18-10-19-17(11-20(18)32-4)22-23(28-14(3)29-25(22)30-19)15-7-9-27-24-16(15)6-5-8-26-24/h5-10,15-16,20,33H,11-14H2,1-4H3,(H,34,35,36);7-12H,1-6H3,(H,27,28,29);7-11H,1-6H3,(H,27,28,29);7,9-11H,5-6,8H2,1-4H3,(H,26,27)(H,28,29,30)
• InChIKey: LGSGGGXQXLVRRR-UHFFFAOYSA-N
• XLogP: 22.20
• TPSA: 397.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1870.16
LogP ≤ 5	22.20
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]phenyl]-N-methylacetamide;N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-pyridinyl]-N-methylacetamide;4-[6-methoxy-2-methyl-4-(4-piperidin-4-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of N-[3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]phenyl]-N-methylacetamide;N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-pyridinyl]-N-methylacetamide;4-[6-methoxy-2-methyl-4-(4-piperidin-4-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (CID 159345873) is N-[3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]phenyl]-N-methylacetamide;N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-pyridinyl]-N-methylacetamide;4-[6-methoxy-2-methyl-4-(4-piperidin-4-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for N-[3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]phenyl]-N-methylacetamide;N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-pyridinyl]-N-methylacetamide;4-[6-methoxy-2-methyl-4-(4-piperidin-4-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for N-[3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]phenyl]-N-methylacetamide;N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-pyridinyl]-N-methylacetamide;4-[6-methoxy-2-methyl-4-(4-piperidin-4-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(C4CCNCC4)c4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cccc(N(C)C(C)=O)c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc(N(C)C(C)=O)c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4c3CCCN4)c12.

What is the InChIKey of N-[3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]phenyl]-N-methylacetamide;N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-pyridinyl]-N-methylacetamide;4-[6-methoxy-2-methyl-4-(4-piperidin-4-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is LGSGGGXQXLVRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5O2.C26H25N5O3.C25H24N6O3.C25H24N6O2/c1-17-29(18(2)39-37-17)26-15-27-25(16-28(26)38-4)30-31(34-19(3)35-32(30)36-27)24-10-9-21(20-11-13-33-14-12-20)22-7-5-6-8-23(22)24;1-13-23(14(2)34-30-13)20-11-21-19(12-22(20)33-6)24-25(27-15(3)28-26(24)29-21)17-8-7-9-18(10-17)31(5)16(4)32;1-12-22(13(2)34-30-12)18-10-19-17(11-20(18)33-6)23-24(27-14(3)28-25(23)29-19)16-7-8-26-21(9-16)31(5)15(4)32;1-12-21(13(2)33-31-12)18-10-19-17(11-20(18)32-4)22-23(28-14(3)29-25(22)30-19)15-7-9-27-24-16(15)6-5-8-26-24/h5-10,15-16,20,33H,11-14H2,1-4H3,(H,34,35,36);7-12H,1-6H3,(H,27,28,29);7-11H,1-6H3,(H,27,28,29);7,9-11H,5-6,8H2,1-4H3,(H,26,27)(H,28,29,30).

What are the key properties of N-[3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]phenyl]-N-methylacetamide;N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-pyridinyl]-N-methylacetamide;4-[6-methoxy-2-methyl-4-(4-piperidin-4-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?

N-[3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]phenyl]-N-methylacetamide;N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-pyridinyl]-N-methylacetamide;4-[6-methoxy-2-methyl-4-(4-piperidin-4-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1870.16 g/mol, XLogP of 22.20, 15 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]phenyl]-N-methylacetamide;N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-pyridinyl]-N-methylacetamide;4-[6-methoxy-2-methyl-4-(4-piperidin-4-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 159345873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).