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

C23H26F2N6O2S — CID 153281460

IUPAC7-amino-N-[(2R)-2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)NC[C@H](C)c3cc(F)c(N4CC5CNCC(C4)O5)cc3F)sc2n1
InChIInChI=1S/C23H26F2N6O2S/c1-11(5-29-22(32)21-19(26)20-23(34-21)30-12(2)6-28-20)15-3-17(25)18(4-16(15)24)31-9-13-7-27-8-14(10-31)33-13/h3-4,6,11,13-14,27H,5,7-10,26H2,1-2H3,(H,29,32)/t11-,13?,14?/m0/s1
InChIKeyATERIWMKTHLLIK-XGNXJENSSA-N
MW488.56 g/mol
LogP2.57
Rot. Bonds5

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

7-amino-N-[(2R)-2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 153281460) has the molecular formula C23H26F2N6O2S and a molecular weight of 488.56 g/mol. Its IUPAC name is 7-amino-N-[(2R)-2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-[(2R)-2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID153281460
Molecular FormulaC23H26F2N6O2S
Molecular Weight488.56 g/mol
Exact Mass488.18
IUPAC Name7-amino-N-[(2R)-2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)NC[C@H](C)c3cc(F)c(N4CC5CNCC(C4)O5)cc3F)sc2n1
InChIInChI=1S/C23H26F2N6O2S/c1-11(5-29-22(32)21-19(26)20-23(34-21)30-12(2)6-28-20)15-3-17(25)18(4-16(15)24)31-9-13-7-27-8-14(10-31)33-13/h3-4,6,11,13-14,27H,5,7-10,26H2,1-2H3,(H,29,32)/t11-,13?,14?/m0/s1
InChIKeyATERIWMKTHLLIK-XGNXJENSSA-N
XLogP2.57
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-amino-N-[(2R)-2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(2R)-2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-[(2R)-2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 153281460) is 7-amino-N-[(2R)-2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-amino-N-[(2R)-2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-[(2R)-2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is Cc1cnc2c(N)c(C(=O)NC[C@H](C)c3cc(F)c(N4CC5CNCC(C4)O5)cc3F)sc2n1.
What is the InChIKey of 7-amino-N-[(2R)-2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is ATERIWMKTHLLIK-XGNXJENSSA-N. The full InChI is InChI=1S/C23H26F2N6O2S/c1-11(5-29-22(32)21-19(26)20-23(34-21)30-12(2)6-28-20)15-3-17(25)18(4-16(15)24)31-9-13-7-27-8-14(10-31)33-13/h3-4,6,11,13-14,27H,5,7-10,26H2,1-2H3,(H,29,32)/t11-,13?,14?/m0/s1.
What are the key properties of 7-amino-N-[(2R)-2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[(2R)-2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 488.56 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(2R)-2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 153281460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).