7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

C72H80F2N18O4S3 — CID 162182033

About 7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 162182033) has the molecular formula C72H80F2N18O4S3 and a molecular weight of 1395.75 g/mol. Its IUPAC name is 7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: 7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
• PubChem CID: 162182033
• Molecular Formula: C72H80F2N18O4S3
• Molecular Weight: 1395.75 g/mol
• Exact Mass: 1394.57
• IUPAC Name: 7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
• SMILES: Cc1cnc2c(N)c(C(=O)NCC(C)c3ccc(N4CC5CCC(C5)C4)c(C#N)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3cc(F)c(N4CC5CNCC(C4)O5)cc3F)sc2n1.Cc1cnc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C5)C4)c(C#N)c3)sc2n1
• InChI: InChI=1S/2C25H28N6OS.C22H24F2N6O2S/c2*1-14(10-29-24(32)23-21(27)22-25(33-23)30-15(2)11-28-22)18-5-6-20(19(8-18)9-26)31-12-16-3-4-17(7-16)13-31;1-11-6-28-19-18(25)20(33-22(19)29-11)21(31)27-3-2-12-4-16(24)17(5-15(12)23)30-9-13-7-26-8-14(10-30)32-13/h2*5-6,8,11,14,16-17H,3-4,7,10,12-13,27H2,1-2H3,(H,29,32);4-6,13-14,26H,2-3,7-10,25H2,1H3,(H,27,31)/t14-,16?,17?;;/m0../s1
• InChIKey: ZPDSTUYKOOIUCD-XGTJKEAZSA-N
• XLogP: 10.46
• TPSA: 321.26 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1395.75
LogP ≤ 5	10.46
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?

The IUPAC name of 7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 162182033) is 7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

What is the SMILES notation for 7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?

The canonical SMILES for 7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is Cc1cnc2c(N)c(C(=O)NCC(C)c3ccc(N4CC5CCC(C5)C4)c(C#N)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3cc(F)c(N4CC5CNCC(C4)O5)cc3F)sc2n1.Cc1cnc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C5)C4)c(C#N)c3)sc2n1.

What is the InChIKey of 7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?

The InChIKey is ZPDSTUYKOOIUCD-XGTJKEAZSA-N. The full InChI is InChI=1S/2C25H28N6OS.C22H24F2N6O2S/c2*1-14(10-29-24(32)23-21(27)22-25(33-23)30-15(2)11-28-22)18-5-6-20(19(8-18)9-26)31-12-16-3-4-17(7-16)13-31;1-11-6-28-19-18(25)20(33-22(19)29-11)21(31)27-3-2-12-4-16(24)17(5-15(12)23)30-9-13-7-26-8-14(10-30)32-13/h2*5-6,8,11,14,16-17H,3-4,7,10,12-13,27H2,1-2H3,(H,29,32);4-6,13-14,26H,2-3,7-10,25H2,1H3,(H,27,31)/t14-,16?,17?;;/m0../s1.

What are the key properties of 7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?

7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 1395.75 g/mol, XLogP of 10.46, 15 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 162182033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).