N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1-oxide;5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-isoindole

C88H100N20O6S — CID 158041474

About N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1-oxide;5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-isoindole

N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1-oxide;5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-isoindole (PubChem CID 158041474) has the molecular formula C88H100N20O6S and a molecular weight of 1565.97 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1-oxide;5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-isoindole.

Molecular Properties

• Compound Name: N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1-oxide;5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-isoindole
• PubChem CID: 158041474
• Molecular Formula: C88H100N20O6S
• Molecular Weight: 1565.97 g/mol
• Exact Mass: 1564.79
• IUPAC Name: N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1-oxide;5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-isoindole
• SMILES: CC(C)Oc1ccc2c(c1)C(c1ccnc(N3CCC(n4cnnc4)CC3)c1)=NC2.CC(C)Oc1ccc2c(c1)C(c1ccnc(N3CCCC(c4nncn4C)C3)c1)=NC2.CC(C)Oc1ccc2c(c1)C(c1ccnc(N3CCS(=O)CC3)c1)=NC2.Cc1nnc(CN(C)c2cc(C3=NCc4ccc(OC(C)C)cc43)ccn2)o1
• InChI: InChI=1S/C24H28N6O.C23H26N6O.C21H23N5O2.C20H23N3O2S/c1-16(2)31-20-7-6-18-13-26-23(21(18)12-20)17-8-9-25-22(11-17)30-10-4-5-19(14-30)24-28-27-15-29(24)3;1-16(2)30-20-4-3-18-13-25-23(21(18)12-20)17-5-8-24-22(11-17)28-9-6-19(7-10-28)29-14-26-27-15-29;1-13(2)27-17-6-5-16-11-23-21(18(16)10-17)15-7-8-22-19(9-15)26(4)12-20-25-24-14(3)28-20;1-14(2)25-17-4-3-16-13-22-20(18(16)12-17)15-5-6-21-19(11-15)23-7-9-26(24)10-8-23/h6-9,11-12,15-16,19H,4-5,10,13-14H2,1-3H3;3-5,8,11-12,14-16,19H,6-7,9-10,13H2,1-2H3;5-10,13H,11-12H2,1-4H3;3-6,11-12,14H,7-10,13H2,1-2H3
• InChIKey: FIKDMAICQVKDAR-UHFFFAOYSA-N
• XLogP: 13.72
• TPSA: 268.29 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1565.97
LogP ≤ 5	13.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1-oxide;5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-isoindole?

The IUPAC name of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1-oxide;5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-isoindole (CID 158041474) is N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1-oxide;5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-isoindole.

What is the SMILES notation for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1-oxide;5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-isoindole?

The canonical SMILES for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1-oxide;5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-isoindole is CC(C)Oc1ccc2c(c1)C(c1ccnc(N3CCC(n4cnnc4)CC3)c1)=NC2.CC(C)Oc1ccc2c(c1)C(c1ccnc(N3CCCC(c4nncn4C)C3)c1)=NC2.CC(C)Oc1ccc2c(c1)C(c1ccnc(N3CCS(=O)CC3)c1)=NC2.Cc1nnc(CN(C)c2cc(C3=NCc4ccc(OC(C)C)cc43)ccn2)o1.

What is the InChIKey of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1-oxide;5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-isoindole?

The InChIKey is FIKDMAICQVKDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O.C23H26N6O.C21H23N5O2.C20H23N3O2S/c1-16(2)31-20-7-6-18-13-26-23(21(18)12-20)17-8-9-25-22(11-17)30-10-4-5-19(14-30)24-28-27-15-29(24)3;1-16(2)30-20-4-3-18-13-25-23(21(18)12-20)17-5-8-24-22(11-17)28-9-6-19(7-10-28)29-14-26-27-15-29;1-13(2)27-17-6-5-16-11-23-21(18(16)10-17)15-7-8-22-19(9-15)26(4)12-20-25-24-14(3)28-20;1-14(2)25-17-4-3-16-13-22-20(18(16)12-17)15-5-6-21-19(11-15)23-7-9-26(24)10-8-23/h6-9,11-12,15-16,19H,4-5,10,13-14H2,1-3H3;3-5,8,11-12,14-16,19H,6-7,9-10,13H2,1-2H3;5-10,13H,11-12H2,1-4H3;3-6,11-12,14H,7-10,13H2,1-2H3.

What are the key properties of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1-oxide;5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-isoindole?

N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1-oxide;5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-isoindole has a molecular weight of 1565.97 g/mol, XLogP of 13.72, 20 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(6-propan-2-yloxy-3H-isoindol-1-yl)pyridin-2-amine;3-[2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-1,4-thiazinane 1-oxide;5-propan-2-yloxy-3-[2-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-4-pyridinyl]-1H-isoindole is sourced from PubChem (CID 158041474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).