2-butyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-amine;N-(7-fluoro-1H-indol-5-yl)-2-(1H-pyrrol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine

C100H79F2N31O3S — CID 165100932

About 2-butyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-amine;N-(7-fluoro-1H-indol-5-yl)-2-(1H-pyrrol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine

2-butyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-amine;N-(7-fluoro-1H-indol-5-yl)-2-(1H-pyrrol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine (PubChem CID 165100932) has the molecular formula C100H79F2N31O3S and a molecular weight of 1833.01 g/mol. Its IUPAC name is 2-butyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-amine;N-(7-fluoro-1H-indol-5-yl)-2-(1H-pyrrol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine.

Molecular Properties

• Compound Name: 2-butyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-amine;N-(7-fluoro-1H-indol-5-yl)-2-(1H-pyrrol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine
• PubChem CID: 165100932
• Molecular Formula: C100H79F2N31O3S
• Molecular Weight: 1833.01 g/mol
• Exact Mass: 1831.67
• IUPAC Name: 2-butyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-amine;N-(7-fluoro-1H-indol-5-yl)-2-(1H-pyrrol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine
• SMILES: CC(C)c1nc2ccc(Nc3nc(-c4ccncc4)nc4ncccc34)cc2o1.CCCCc1nc2ccc(Nc3nc(-c4ccncc4)nc4ncccc34)cc2o1.Fc1cc(Nc2nc(-c3cc[nH]c3)nc3ncccc23)cc2cc[nH]c12.Fc1cc(Nc2nc(N3CCOCC3)nc3ncccc23)cc2cc[nH]c12.c1cnc2nc(-c3cncs3)nc(Nc3ccc4[nH]ncc4c3)c2c1
• InChI: InChI=1S/C23H20N6O.C22H18N6O.C19H17FN6O.C19H13FN6.C17H11N7S/c1-2-3-6-20-27-18-8-7-16(14-19(18)30-20)26-23-17-5-4-11-25-22(17)28-21(29-23)15-9-12-24-13-10-15;1-13(2)22-26-17-6-5-15(12-18(17)29-22)25-21-16-4-3-9-24-20(16)27-19(28-21)14-7-10-23-11-8-14;20-15-11-13(10-12-3-5-21-16(12)15)23-18-14-2-1-4-22-17(14)24-19(25-18)26-6-8-27-9-7-26;20-15-9-13(8-11-4-7-22-16(11)15)24-19-14-2-1-5-23-18(14)25-17(26-19)12-3-6-21-10-12;1-2-12-15(19-5-1)22-17(14-8-18-9-25-14)23-16(12)21-11-3-4-13-10(6-11)7-20-24-13/h4-5,7-14H,2-3,6H2,1H3,(H,25,26,28,29);3-13H,1-2H3,(H,24,25,27,28);1-5,10-11,21H,6-9H2,(H,22,23,24,25);1-10,21-22H,(H,23,24,25,26);1-9H,(H,20,24)(H,19,21,22,23)
• InChIKey: YHOHHIHFUZJLTB-UHFFFAOYSA-N
• XLogP: 21.79
• TPSA: 432.75 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1833.01
LogP ≤ 5	21.79
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-amine;N-(7-fluoro-1H-indol-5-yl)-2-(1H-pyrrol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine?

The IUPAC name of 2-butyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-amine;N-(7-fluoro-1H-indol-5-yl)-2-(1H-pyrrol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine (CID 165100932) is 2-butyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-amine;N-(7-fluoro-1H-indol-5-yl)-2-(1H-pyrrol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine.

What is the SMILES notation for 2-butyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-amine;N-(7-fluoro-1H-indol-5-yl)-2-(1H-pyrrol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine?

The canonical SMILES for 2-butyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-amine;N-(7-fluoro-1H-indol-5-yl)-2-(1H-pyrrol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine is CC(C)c1nc2ccc(Nc3nc(-c4ccncc4)nc4ncccc34)cc2o1.CCCCc1nc2ccc(Nc3nc(-c4ccncc4)nc4ncccc34)cc2o1.Fc1cc(Nc2nc(-c3cc[nH]c3)nc3ncccc23)cc2cc[nH]c12.Fc1cc(Nc2nc(N3CCOCC3)nc3ncccc23)cc2cc[nH]c12.c1cnc2nc(-c3cncs3)nc(Nc3ccc4[nH]ncc4c3)c2c1.

What is the InChIKey of 2-butyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-amine;N-(7-fluoro-1H-indol-5-yl)-2-(1H-pyrrol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine?

The InChIKey is YHOHHIHFUZJLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O.C22H18N6O.C19H17FN6O.C19H13FN6.C17H11N7S/c1-2-3-6-20-27-18-8-7-16(14-19(18)30-20)26-23-17-5-4-11-25-22(17)28-21(29-23)15-9-12-24-13-10-15;1-13(2)22-26-17-6-5-15(12-18(17)29-22)25-21-16-4-3-9-24-20(16)27-19(28-21)14-7-10-23-11-8-14;20-15-11-13(10-12-3-5-21-16(12)15)23-18-14-2-1-4-22-17(14)24-19(25-18)26-6-8-27-9-7-26;20-15-9-13(8-11-4-7-22-16(11)15)24-19-14-2-1-5-23-18(14)25-17(26-19)12-3-6-21-10-12;1-2-12-15(19-5-1)22-17(14-8-18-9-25-14)23-16(12)21-11-3-4-13-10(6-11)7-20-24-13/h4-5,7-14H,2-3,6H2,1H3,(H,25,26,28,29);3-13H,1-2H3,(H,24,25,27,28);1-5,10-11,21H,6-9H2,(H,22,23,24,25);1-10,21-22H,(H,23,24,25,26);1-9H,(H,20,24)(H,19,21,22,23).

What are the key properties of 2-butyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-amine;N-(7-fluoro-1H-indol-5-yl)-2-(1H-pyrrol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine?

2-butyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-amine;N-(7-fluoro-1H-indol-5-yl)-2-(1H-pyrrol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine has a molecular weight of 1833.01 g/mol, XLogP of 21.79, 19 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-amine;N-(7-fluoro-1H-indol-5-yl)-2-(1H-pyrrol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-2-(1,3-thiazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 165100932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).