N-[6-[3-(1,1-difluoroethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;7-[3-(1-fluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]naphthalene-1-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide

C125H110F7N19O7S2 — CID 159499663

About N-[6-[3-(1,1-difluoroethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;7-[3-(1-fluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]naphthalene-1-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide

N-[6-[3-(1,1-difluoroethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;7-[3-(1-fluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]naphthalene-1-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide (PubChem CID 159499663) has the molecular formula C125H110F7N19O7S2 and a molecular weight of 2187.50 g/mol. Its IUPAC name is N-[6-[3-(1,1-difluoroethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;7-[3-(1-fluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]naphthalene-1-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide.

Molecular Properties

• Compound Name: N-[6-[3-(1,1-difluoroethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;7-[3-(1-fluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]naphthalene-1-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide
• PubChem CID: 159499663
• Molecular Formula: C125H110F7N19O7S2
• Molecular Weight: 2187.50 g/mol
• Exact Mass: 2185.82
• IUPAC Name: N-[6-[3-(1,1-difluoroethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;7-[3-(1-fluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]naphthalene-1-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide
• SMILES: CC(F)(F)Oc1cccc(-c2ccc3ncnc(NC(=O)c4cscn4)c3n2)c1.CC(F)(F)c1cccc(-c2ccc3cccc(C(=O)Nc4ccc(CN5CCCC5)nc4)c3n2)c1.CC(F)c1cc(-c2ccc3cccc(C(=O)Nc4nccs4)c3n2)ccn1.CC(F)c1cccc(-c2ccc3cccc(C(=O)Nc4ccc(CN5CCCC5)cn4)c3c2)c1.CC(F)c1cccc(-c2ccc3cccc(C(=O)Nc4ccc(CN5CCOCC5)cc4)c3n2)c1
• InChI: InChI=1S/C29H28FN3O2.C29H28FN3O.C28H26F2N4O.C20H15FN4OS.C19H13F2N5O2S/c1-20(30)23-5-2-6-24(18-23)27-13-10-22-4-3-7-26(28(22)32-27)29(34)31-25-11-8-21(9-12-25)19-33-14-16-35-17-15-33;1-20(30)23-7-4-8-24(16-23)25-12-11-22-6-5-9-26(27(22)17-25)29(34)32-28-13-10-21(18-31-28)19-33-14-2-3-15-33;1-28(29,30)21-8-4-7-20(16-21)25-13-10-19-6-5-9-24(26(19)33-25)27(35)32-22-11-12-23(31-17-22)18-34-14-2-3-15-34;1-12(21)17-11-14(7-8-22-17)16-6-5-13-3-2-4-15(18(13)24-16)19(26)25-20-23-9-10-27-20;1-19(20,21)28-12-4-2-3-11(7-12)13-5-6-14-16(25-13)17(23-9-22-14)26-18(27)15-8-29-10-24-15/h2-13,18,20H,14-17,19H2,1H3,(H,31,34);4-13,16-18,20H,2-3,14-15,19H2,1H3,(H,31,32,34);4-13,16-17H,2-3,14-15,18H2,1H3,(H,32,35);2-12H,1H3,(H,23,25,26);2-10H,1H3,(H,22,23,26,27)
• InChIKey: LZFJYHBTQSCUCS-UHFFFAOYSA-N
• XLogP: 28.48
• TPSA: 315.47 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2187.50
LogP ≤ 5	28.48
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(1,1-difluoroethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;7-[3-(1-fluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]naphthalene-1-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide?

The IUPAC name of N-[6-[3-(1,1-difluoroethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;7-[3-(1-fluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]naphthalene-1-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide (CID 159499663) is N-[6-[3-(1,1-difluoroethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;7-[3-(1-fluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]naphthalene-1-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide.

What is the SMILES notation for N-[6-[3-(1,1-difluoroethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;7-[3-(1-fluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]naphthalene-1-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide?

The canonical SMILES for N-[6-[3-(1,1-difluoroethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;7-[3-(1-fluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]naphthalene-1-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide is CC(F)(F)Oc1cccc(-c2ccc3ncnc(NC(=O)c4cscn4)c3n2)c1.CC(F)(F)c1cccc(-c2ccc3cccc(C(=O)Nc4ccc(CN5CCCC5)nc4)c3n2)c1.CC(F)c1cc(-c2ccc3cccc(C(=O)Nc4nccs4)c3n2)ccn1.CC(F)c1cccc(-c2ccc3cccc(C(=O)Nc4ccc(CN5CCCC5)cn4)c3c2)c1.CC(F)c1cccc(-c2ccc3cccc(C(=O)Nc4ccc(CN5CCOCC5)cc4)c3n2)c1.

What is the InChIKey of N-[6-[3-(1,1-difluoroethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;7-[3-(1-fluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]naphthalene-1-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide?

The InChIKey is LZFJYHBTQSCUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN3O2.C29H28FN3O.C28H26F2N4O.C20H15FN4OS.C19H13F2N5O2S/c1-20(30)23-5-2-6-24(18-23)27-13-10-22-4-3-7-26(28(22)32-27)29(34)31-25-11-8-21(9-12-25)19-33-14-16-35-17-15-33;1-20(30)23-7-4-8-24(16-23)25-12-11-22-6-5-9-26(27(22)17-25)29(34)32-28-13-10-21(18-31-28)19-33-14-2-3-15-33;1-28(29,30)21-8-4-7-20(16-21)25-13-10-19-6-5-9-24(26(19)33-25)27(35)32-22-11-12-23(31-17-22)18-34-14-2-3-15-34;1-12(21)17-11-14(7-8-22-17)16-6-5-13-3-2-4-15(18(13)24-16)19(26)25-20-23-9-10-27-20;1-19(20,21)28-12-4-2-3-11(7-12)13-5-6-14-16(25-13)17(23-9-22-14)26-18(27)15-8-29-10-24-15/h2-13,18,20H,14-17,19H2,1H3,(H,31,34);4-13,16-18,20H,2-3,14-15,19H2,1H3,(H,31,32,34);4-13,16-17H,2-3,14-15,18H2,1H3,(H,32,35);2-12H,1H3,(H,23,25,26);2-10H,1H3,(H,22,23,26,27).

What are the key properties of N-[6-[3-(1,1-difluoroethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;7-[3-(1-fluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]naphthalene-1-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide?

N-[6-[3-(1,1-difluoroethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;7-[3-(1-fluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]naphthalene-1-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide has a molecular weight of 2187.50 g/mol, XLogP of 28.48, 27 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[3-(1,1-difluoroethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;7-[3-(1-fluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]naphthalene-1-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide is sourced from PubChem (CID 159499663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).