3-amino-N-[2-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C23H24N6OS — CID 153311052

IUPAC3-amino-N-[2-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCn5cncc5C4)cc3)sc2n1
InChIInChI=1S/C23H24N6OS/c1-15-2-7-19-20(24)21(31-23(19)27-15)22(30)26-9-8-16-3-5-17(6-4-16)28-10-11-29-14-25-12-18(29)13-28/h2-7,12,14H,8-11,13,24H2,1H3,(H,26,30)
InChIKeyUBUZZQVWJYULSM-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.38
Rot. Bonds5

About 3-amino-N-[2-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 153311052) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is 3-amino-N-[2-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID153311052
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC Name3-amino-N-[2-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCn5cncc5C4)cc3)sc2n1
InChIInChI=1S/C23H24N6OS/c1-15-2-7-19-20(24)21(31-23(19)27-15)22(30)26-9-8-16-3-5-17(6-4-16)28-10-11-29-14-25-12-18(29)13-28/h2-7,12,14H,8-11,13,24H2,1H3,(H,26,30)
InChIKeyUBUZZQVWJYULSM-UHFFFAOYSA-N
XLogP3.38
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 3-amino-N-[2-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 153311052) is 3-amino-N-[2-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCn5cncc5C4)cc3)sc2n1.
What is the InChIKey of 3-amino-N-[2-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is UBUZZQVWJYULSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS/c1-15-2-7-19-20(24)21(31-23(19)27-15)22(30)26-9-8-16-3-5-17(6-4-16)28-10-11-29-14-25-12-18(29)13-28/h2-7,12,14H,8-11,13,24H2,1H3,(H,26,30).
What are the key properties of 3-amino-N-[2-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 153311052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).