N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxyphenyl)pyrido[4,3-d]pyrimidin-2-amine;8-(2-methoxy-4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine

C71H77N17O7S3 — CID 159295188

About N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxyphenyl)pyrido[4,3-d]pyrimidin-2-amine;8-(2-methoxy-4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine

N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxyphenyl)pyrido[4,3-d]pyrimidin-2-amine;8-(2-methoxy-4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine (PubChem CID 159295188) has the molecular formula C71H77N17O7S3 and a molecular weight of 1376.71 g/mol. Its IUPAC name is N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxyphenyl)pyrido[4,3-d]pyrimidin-2-amine;8-(2-methoxy-4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine.

Molecular Properties

• Compound Name: N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxyphenyl)pyrido[4,3-d]pyrimidin-2-amine;8-(2-methoxy-4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine
• PubChem CID: 159295188
• Molecular Formula: C71H77N17O7S3
• Molecular Weight: 1376.71 g/mol
• Exact Mass: 1375.54
• IUPAC Name: N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxyphenyl)pyrido[4,3-d]pyrimidin-2-amine;8-(2-methoxy-4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine
• SMILES: COc1cc(S(C)(=O)=O)ccc1-c1c(C)sc2cnc(Nc3cnn(C4CCCCC4)c3)nc12.COc1cc(S(C)(=O)=O)ccc1-c1cccc2cnc(Nc3cnn(C4CCNCC4)c3)nc12.COc1ccccc1-c1cncc2cnc(Nc3cnn(C4CCCCC4)c3)nc12
• InChI: InChI=1S/C24H26N6O3S.C24H27N5O3S2.C23H24N6O/c1-33-22-12-19(34(2,31)32)6-7-20(22)21-5-3-4-16-13-26-24(29-23(16)21)28-17-14-27-30(15-17)18-8-10-25-11-9-18;1-15-22(19-10-9-18(34(3,30)31)11-20(19)32-2)23-21(33-15)13-25-24(28-23)27-16-12-26-29(14-16)17-7-5-4-6-8-17;1-30-21-10-6-5-9-19(21)20-14-24-11-16-12-25-23(28-22(16)20)27-17-13-26-29(15-17)18-7-3-2-4-8-18/h3-7,12-15,18,25H,8-11H2,1-2H3,(H,26,28,29);9-14,17H,4-8H2,1-3H3,(H,25,27,28);5-6,9-15,18H,2-4,7-8H2,1H3,(H,25,27,28)
• InChIKey: LAPWVWQXKUUFGK-UHFFFAOYSA-N
• XLogP: 14.24
• TPSA: 287.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1376.71
LogP ≤ 5	14.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxyphenyl)pyrido[4,3-d]pyrimidin-2-amine;8-(2-methoxy-4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine?

The IUPAC name of N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxyphenyl)pyrido[4,3-d]pyrimidin-2-amine;8-(2-methoxy-4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine (CID 159295188) is N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxyphenyl)pyrido[4,3-d]pyrimidin-2-amine;8-(2-methoxy-4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine.

What is the SMILES notation for N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxyphenyl)pyrido[4,3-d]pyrimidin-2-amine;8-(2-methoxy-4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine?

The canonical SMILES for N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxyphenyl)pyrido[4,3-d]pyrimidin-2-amine;8-(2-methoxy-4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine is COc1cc(S(C)(=O)=O)ccc1-c1c(C)sc2cnc(Nc3cnn(C4CCCCC4)c3)nc12.COc1cc(S(C)(=O)=O)ccc1-c1cccc2cnc(Nc3cnn(C4CCNCC4)c3)nc12.COc1ccccc1-c1cncc2cnc(Nc3cnn(C4CCCCC4)c3)nc12.

What is the InChIKey of N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxyphenyl)pyrido[4,3-d]pyrimidin-2-amine;8-(2-methoxy-4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine?

The InChIKey is LAPWVWQXKUUFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S.C24H27N5O3S2.C23H24N6O/c1-33-22-12-19(34(2,31)32)6-7-20(22)21-5-3-4-16-13-26-24(29-23(16)21)28-17-14-27-30(15-17)18-8-10-25-11-9-18;1-15-22(19-10-9-18(34(3,30)31)11-20(19)32-2)23-21(33-15)13-25-24(28-23)27-16-12-26-29(14-16)17-7-5-4-6-8-17;1-30-21-10-6-5-9-19(21)20-14-24-11-16-12-25-23(28-22(16)20)27-17-13-26-29(15-17)18-7-3-2-4-8-18/h3-7,12-15,18,25H,8-11H2,1-2H3,(H,26,28,29);9-14,17H,4-8H2,1-3H3,(H,25,27,28);5-6,9-15,18H,2-4,7-8H2,1H3,(H,25,27,28).

What are the key properties of N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxyphenyl)pyrido[4,3-d]pyrimidin-2-amine;8-(2-methoxy-4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine?

N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxyphenyl)pyrido[4,3-d]pyrimidin-2-amine;8-(2-methoxy-4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine has a molecular weight of 1376.71 g/mol, XLogP of 14.24, 17 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxyphenyl)pyrido[4,3-d]pyrimidin-2-amine;8-(2-methoxy-4-methylsulfonylphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine is sourced from PubChem (CID 159295188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).