5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-pyridin-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)-2-(1,3-thiazol-2-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide

C111H101F8N21O6S2 — CID 162180935

About 5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-pyridin-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)-2-(1,3-thiazol-2-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide

5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-pyridin-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)-2-(1,3-thiazol-2-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 162180935) has the molecular formula C111H101F8N21O6S2 and a molecular weight of 2041.29 g/mol. Its IUPAC name is 5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-pyridin-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)-2-(1,3-thiazol-2-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-pyridin-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)-2-(1,3-thiazol-2-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 162180935
• Molecular Formula: C111H101F8N21O6S2
• Molecular Weight: 2041.29 g/mol
• Exact Mass: 2039.76
• IUPAC Name: 5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-pyridin-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)-2-(1,3-thiazol-2-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide
• SMILES: CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cnc(Oc3nccs3)nc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ncc(-c3ccccn3)nc2n1Cc1ccccc1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ncc(NC3CCCC3)nc2n1Cc1ccccc1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ncc(Oc3nccs3)nc2n1Cc1ccccc1
• InChI: InChI=1S/C29H25F2N5O.C29H31F2N5O.C27H23F2N5O2S.C26H22F2N6O2S/c1-18(2)27-25(29(37)34-15-20-11-12-21(30)22(31)14-20)26-28(36(27)17-19-8-4-3-5-9-19)35-24(16-33-26)23-10-6-7-13-32-23;1-18(2)27-25(29(37)33-15-20-12-13-22(30)23(31)14-20)26-28(36(27)17-19-8-4-3-5-9-19)35-24(16-32-26)34-21-10-6-7-11-21;1-16(2)24-22(26(35)32-13-18-8-9-19(28)20(29)12-18)23-25(34(24)15-17-6-4-3-5-7-17)33-21(14-31-23)36-27-30-10-11-37-27;1-15(2)22-21(24(35)31-12-16-6-7-19(27)20(28)11-16)18-13-32-25(36-26-30-9-10-37-26)33-23(18)34(22)14-17-5-3-4-8-29-17/h3-14,16,18H,15,17H2,1-2H3,(H,34,37);3-5,8-9,12-14,16,18,21H,6-7,10-11,15,17H2,1-2H3,(H,33,37)(H,34,35);3-12,14,16H,13,15H2,1-2H3,(H,32,35);3-11,13,15H,12,14H2,1-2H3,(H,31,35)
• InChIKey: ZOZVNPNSAOLANQ-UHFFFAOYSA-N
• XLogP: 23.55
• TPSA: 321.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 31
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2041.29
LogP ≤ 5	23.55
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-pyridin-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)-2-(1,3-thiazol-2-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of 5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-pyridin-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)-2-(1,3-thiazol-2-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 162180935) is 5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-pyridin-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)-2-(1,3-thiazol-2-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for 5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-pyridin-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)-2-(1,3-thiazol-2-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for 5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-pyridin-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)-2-(1,3-thiazol-2-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide is CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cnc(Oc3nccs3)nc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ncc(-c3ccccn3)nc2n1Cc1ccccc1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ncc(NC3CCCC3)nc2n1Cc1ccccc1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ncc(Oc3nccs3)nc2n1Cc1ccccc1.

What is the InChIKey of 5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-pyridin-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)-2-(1,3-thiazol-2-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is ZOZVNPNSAOLANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F2N5O.C29H31F2N5O.C27H23F2N5O2S.C26H22F2N6O2S/c1-18(2)27-25(29(37)34-15-20-11-12-21(30)22(31)14-20)26-28(36(27)17-19-8-4-3-5-9-19)35-24(16-33-26)23-10-6-7-13-32-23;1-18(2)27-25(29(37)33-15-20-12-13-22(30)23(31)14-20)26-28(36(27)17-19-8-4-3-5-9-19)35-24(16-32-26)34-21-10-6-7-11-21;1-16(2)24-22(26(35)32-13-18-8-9-19(28)20(29)12-18)23-25(34(24)15-17-6-4-3-5-7-17)33-21(14-31-23)36-27-30-10-11-37-27;1-15(2)22-21(24(35)31-12-16-6-7-19(27)20(28)11-16)18-13-32-25(36-26-30-9-10-37-26)33-23(18)34(22)14-17-5-3-4-8-29-17/h3-14,16,18H,15,17H2,1-2H3,(H,34,37);3-5,8-9,12-14,16,18,21H,6-7,10-11,15,17H2,1-2H3,(H,33,37)(H,34,35);3-12,14,16H,13,15H2,1-2H3,(H,32,35);3-11,13,15H,12,14H2,1-2H3,(H,31,35).

What are the key properties of 5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-pyridin-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)-2-(1,3-thiazol-2-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide?

5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-pyridin-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)-2-(1,3-thiazol-2-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 2041.29 g/mol, XLogP of 23.55, 31 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-3-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-6-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-pyridin-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide;5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-7-(pyridin-2-ylmethyl)-2-(1,3-thiazol-2-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 162180935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).