7-amino-N-[2-[3-cyano-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

C23H25N7OS — CID 153281464

IUPAC7-amino-N-[2-[3-cyano-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)NCCc3ccc(N4CC5CCC(C4)N5)c(C#N)c3)sc2n1
InChIInChI=1S/C23H25N7OS/c1-13-10-27-20-19(25)21(32-23(20)28-13)22(31)26-7-6-14-2-5-18(15(8-14)9-24)30-11-16-3-4-17(12-30)29-16/h2,5,8,10,16-17,29H,3-4,6-7,11-12,25H2,1H3,(H,26,31)
InChIKeyRNSWBPGWVLHLPP-UHFFFAOYSA-N
MW447.57 g/mol
LogP2.37
Rot. Bonds5

About 7-amino-N-[2-[3-cyano-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-[2-[3-cyano-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 153281464) has the molecular formula C23H25N7OS and a molecular weight of 447.57 g/mol. Its IUPAC name is 7-amino-N-[2-[3-cyano-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-[2-[3-cyano-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID153281464
Molecular FormulaC23H25N7OS
Molecular Weight447.57 g/mol
Exact Mass447.18
IUPAC Name7-amino-N-[2-[3-cyano-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)NCCc3ccc(N4CC5CCC(C4)N5)c(C#N)c3)sc2n1
InChIInChI=1S/C23H25N7OS/c1-13-10-27-20-19(25)21(32-23(20)28-13)22(31)26-7-6-14-2-5-18(15(8-14)9-24)30-11-16-3-4-17(12-30)29-16/h2,5,8,10,16-17,29H,3-4,6-7,11-12,25H2,1H3,(H,26,31)
InChIKeyRNSWBPGWVLHLPP-UHFFFAOYSA-N
XLogP2.37
TPSA119.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.57
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-amino-N-[2-[3-cyano-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-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-[2-[3-cyano-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-[2-[3-cyano-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 153281464) is 7-amino-N-[2-[3-cyano-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-amino-N-[2-[3-cyano-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-[2-[3-cyano-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CC5CCC(C4)N5)c(C#N)c3)sc2n1.
What is the InChIKey of 7-amino-N-[2-[3-cyano-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is RNSWBPGWVLHLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7OS/c1-13-10-27-20-19(25)21(32-23(20)28-13)22(31)26-7-6-14-2-5-18(15(8-14)9-24)30-11-16-3-4-17(12-30)29-16/h2,5,8,10,16-17,29H,3-4,6-7,11-12,25H2,1H3,(H,26,31).
What are the key properties of 7-amino-N-[2-[3-cyano-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[2-[3-cyano-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 447.57 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-[3-cyano-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 153281464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).