[7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(8-methylquinolin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine

C26H26N8O — CID 164851065

IUPAC[7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(8-methylquinolin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
SMILESCc1cc(C2(CN)C3CCN(c4cnc5c(-c6ccc(C)c7ncccc67)[nH]nc5n4)CC32)no1
InChIInChI=1S/C26H26N8O/c1-14-5-6-17(16-4-3-8-28-22(14)16)23-24-25(32-31-23)30-21(11-29-24)34-9-7-18-19(12-34)26(18,13-27)20-10-15(2)35-33-20/h3-6,8,10-11,18-19H,7,9,12-13,27H2,1-2H3,(H,30,31,32)
InChIKeyGNWLJDDCNORKCP-UHFFFAOYSA-N
MW466.55 g/mol
LogP3.53
Rot. Bonds4

About [7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(8-methylquinolin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine

[7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(8-methylquinolin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine (PubChem CID 164851065) has the molecular formula C26H26N8O and a molecular weight of 466.55 g/mol. Its IUPAC name is [7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(8-methylquinolin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine.

Molecular Properties

Compound Name[7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(8-methylquinolin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
PubChem CID164851065
Molecular FormulaC26H26N8O
Molecular Weight466.55 g/mol
Exact Mass466.22
IUPAC Name[7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(8-methylquinolin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
SMILESCc1cc(C2(CN)C3CCN(c4cnc5c(-c6ccc(C)c7ncccc67)[nH]nc5n4)CC32)no1
InChIInChI=1S/C26H26N8O/c1-14-5-6-17(16-4-3-8-28-22(14)16)23-24-25(32-31-23)30-21(11-29-24)34-9-7-18-19(12-34)26(18,13-27)20-10-15(2)35-33-20/h3-6,8,10-11,18-19H,7,9,12-13,27H2,1-2H3,(H,30,31,32)
InChIKeyGNWLJDDCNORKCP-UHFFFAOYSA-N
XLogP3.53
TPSA122.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(8-methylquinolin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(8-methylquinolin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?
The IUPAC name of [7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(8-methylquinolin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine (CID 164851065) is [7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(8-methylquinolin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine.
What is the SMILES notation for [7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(8-methylquinolin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?
The canonical SMILES for [7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(8-methylquinolin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine is Cc1cc(C2(CN)C3CCN(c4cnc5c(-c6ccc(C)c7ncccc67)[nH]nc5n4)CC32)no1.
What is the InChIKey of [7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(8-methylquinolin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?
The InChIKey is GNWLJDDCNORKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O/c1-14-5-6-17(16-4-3-8-28-22(14)16)23-24-25(32-31-23)30-21(11-29-24)34-9-7-18-19(12-34)26(18,13-27)20-10-15(2)35-33-20/h3-6,8,10-11,18-19H,7,9,12-13,27H2,1-2H3,(H,30,31,32).
What are the key properties of [7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(8-methylquinolin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?
[7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(8-methylquinolin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine has a molecular weight of 466.55 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(8-methylquinolin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine is sourced from PubChem (CID 164851065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).