N-(1-tert-butyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;N-(1-cyclopropyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;ethane

C51H60N14O4 — CID 144912848

About N-(1-tert-butyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;N-(1-cyclopropyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;ethane

N-(1-tert-butyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;N-(1-cyclopropyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;ethane (PubChem CID 144912848) has the molecular formula C51H60N14O4 and a molecular weight of 933.13 g/mol. Its IUPAC name is N-(1-tert-butyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;N-(1-cyclopropyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;ethane.

Molecular Properties

• Compound Name: N-(1-tert-butyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;N-(1-cyclopropyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;ethane
• PubChem CID: 144912848
• Molecular Formula: C51H60N14O4
• Molecular Weight: 933.13 g/mol
• Exact Mass: 932.49
• IUPAC Name: N-(1-tert-butyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;N-(1-cyclopropyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;ethane
• SMILES: CC.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3c(C)cnn3C(C)(C)C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3c(C)cnn3C3CC3)c12
• InChI: InChI=1S/C25H29N7O2.C24H25N7O2.C2H6/c1-12-11-26-32(25(5,6)7)24(12)30-23-21-16-10-19(33-8)17(20-13(2)31-34-14(20)3)9-18(16)29-22(21)27-15(4)28-23;1-11-10-25-31(15-6-7-15)24(11)29-23-21-16-9-19(32-5)17(20-12(2)30-33-13(20)3)8-18(16)28-22(21)26-14(4)27-23;1-2/h9-11H,1-8H3,(H2,27,28,29,30);8-10,15H,6-7H2,1-5H3,(H2,26,27,28,29);1-2H3
• InChIKey: STVSJPUVGFEXAN-UHFFFAOYSA-N
• XLogP: 12.01
• TPSA: 213.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	933.13
LogP ≤ 5	12.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;N-(1-cyclopropyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;ethane?

The IUPAC name of N-(1-tert-butyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;N-(1-cyclopropyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;ethane (CID 144912848) is N-(1-tert-butyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;N-(1-cyclopropyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;ethane.

What is the SMILES notation for N-(1-tert-butyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;N-(1-cyclopropyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;ethane?

The canonical SMILES for N-(1-tert-butyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;N-(1-cyclopropyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;ethane is CC.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3c(C)cnn3C(C)(C)C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3c(C)cnn3C3CC3)c12.

What is the InChIKey of N-(1-tert-butyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;N-(1-cyclopropyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;ethane?

The InChIKey is STVSJPUVGFEXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2.C24H25N7O2.C2H6/c1-12-11-26-32(25(5,6)7)24(12)30-23-21-16-10-19(33-8)17(20-13(2)31-34-14(20)3)9-18(16)29-22(21)27-15(4)28-23;1-11-10-25-31(15-6-7-15)24(11)29-23-21-16-9-19(32-5)17(20-12(2)30-33-13(20)3)8-18(16)28-22(21)26-14(4)27-23;1-2/h9-11H,1-8H3,(H2,27,28,29,30);8-10,15H,6-7H2,1-5H3,(H2,26,27,28,29);1-2H3.

What are the key properties of N-(1-tert-butyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;N-(1-cyclopropyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;ethane?

N-(1-tert-butyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;N-(1-cyclopropyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;ethane has a molecular weight of 933.13 g/mol, XLogP of 12.01, 9 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-tert-butyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;N-(1-cyclopropyl-4-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine;ethane is sourced from PubChem (CID 144912848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).