N-[5-[4-(1-acetylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-ylsulfanylpyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide

C118H112N28O16S6 — CID 158977133

About N-[5-[4-(1-acetylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-ylsulfanylpyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide

N-[5-[4-(1-acetylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-ylsulfanylpyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 158977133) has the molecular formula C118H112N28O16S6 and a molecular weight of 2370.78 g/mol. Its IUPAC name is N-[5-[4-(1-acetylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-ylsulfanylpyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[5-[4-(1-acetylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-ylsulfanylpyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
• PubChem CID: 158977133
• Molecular Formula: C118H112N28O16S6
• Molecular Weight: 2370.78 g/mol
• Exact Mass: 2368.71
• IUPAC Name: N-[5-[4-(1-acetylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-ylsulfanylpyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
• SMILES: CC(=O)N1CCC(Oc2ncnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)nc23)CC1.O=S(=O)(Nc1cncc(-c2ccc3ncnc(CC4CCOCC4)c3n2)c1)c1ccccc1.O=S(=O)(Nc1cncc(-c2ccc3ncnc(OC4CCNCC4)c3n2)c1)c1ccccc1.O=S(=O)(Nc1cncc(-c2ccc3ncnc(OC4CCOCC4)c3n2)c1)c1ccccc1.O=S(=O)(Nc1cncc(-c2ccc3ncnc(SC4CCNCC4)c3n2)c1)c1ccccc1
• InChI: InChI=1S/C25H24N6O4S.C24H23N5O3S.C23H22N6O3S.C23H22N6O2S2.C23H21N5O4S/c1-17(32)31-11-9-20(10-12-31)35-25-24-23(27-16-28-25)8-7-22(29-24)18-13-19(15-26-14-18)30-36(33,34)21-5-3-2-4-6-21;30-33(31,20-4-2-1-3-5-20)29-19-13-18(14-25-15-19)21-6-7-22-24(28-21)23(27-16-26-22)12-17-8-10-32-11-9-17;2*30-33(31,19-4-2-1-3-5-19)29-17-12-16(13-25-14-17)20-6-7-21-22(28-20)23(27-15-26-21)32-18-8-10-24-11-9-18;29-33(30,19-4-2-1-3-5-19)28-17-12-16(13-24-14-17)20-6-7-21-22(27-20)23(26-15-25-21)32-18-8-10-31-11-9-18/h2-8,13-16,20,30H,9-12H2,1H3;1-7,13-17,29H,8-12H2;2*1-7,12-15,18,24,29H,8-11H2;1-7,12-15,18,28H,8-11H2
• InChIKey: JONMDQHQODVZSY-UHFFFAOYSA-N
• XLogP: 17.33
• TPSA: 579.17 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 39
• Rotatable Bonds: 30
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2370.78
LogP ≤ 5	17.33
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(1-acetylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-ylsulfanylpyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide?

The IUPAC name of N-[5-[4-(1-acetylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-ylsulfanylpyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 158977133) is N-[5-[4-(1-acetylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-ylsulfanylpyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide.

What is the SMILES notation for N-[5-[4-(1-acetylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-ylsulfanylpyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide?

The canonical SMILES for N-[5-[4-(1-acetylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-ylsulfanylpyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide is CC(=O)N1CCC(Oc2ncnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)nc23)CC1.O=S(=O)(Nc1cncc(-c2ccc3ncnc(CC4CCOCC4)c3n2)c1)c1ccccc1.O=S(=O)(Nc1cncc(-c2ccc3ncnc(OC4CCNCC4)c3n2)c1)c1ccccc1.O=S(=O)(Nc1cncc(-c2ccc3ncnc(OC4CCOCC4)c3n2)c1)c1ccccc1.O=S(=O)(Nc1cncc(-c2ccc3ncnc(SC4CCNCC4)c3n2)c1)c1ccccc1.

What is the InChIKey of N-[5-[4-(1-acetylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-ylsulfanylpyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide?

The InChIKey is JONMDQHQODVZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O4S.C24H23N5O3S.C23H22N6O3S.C23H22N6O2S2.C23H21N5O4S/c1-17(32)31-11-9-20(10-12-31)35-25-24-23(27-16-28-25)8-7-22(29-24)18-13-19(15-26-14-18)30-36(33,34)21-5-3-2-4-6-21;30-33(31,20-4-2-1-3-5-20)29-19-13-18(14-25-15-19)21-6-7-22-24(28-21)23(27-16-26-22)12-17-8-10-32-11-9-17;2*30-33(31,19-4-2-1-3-5-19)29-17-12-16(13-25-14-17)20-6-7-21-22(28-20)23(27-15-26-21)32-18-8-10-24-11-9-18;29-33(30,19-4-2-1-3-5-19)28-17-12-16(13-24-14-17)20-6-7-21-22(27-20)23(26-15-25-21)32-18-8-10-31-11-9-18/h2-8,13-16,20,30H,9-12H2,1H3;1-7,13-17,29H,8-12H2;2*1-7,12-15,18,24,29H,8-11H2;1-7,12-15,18,28H,8-11H2.

What are the key properties of N-[5-[4-(1-acetylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-ylsulfanylpyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide?

N-[5-[4-(1-acetylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-ylsulfanylpyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 2370.78 g/mol, XLogP of 17.33, 30 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-(1-acetylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-ylsulfanylpyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 158977133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).