4-[8-amino-3-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propyl-2-pyridinyl)benzamide

C26H26N6O2 — CID 71223239

IUPAC4-[8-amino-3-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propyl-2-pyridinyl)benzamide
SMILESCCCc1ccnc(NC(=O)c2ccc(-c3nc(C4[C@H]5COC[C@@H]45)n4ccnc(N)c34)cc2)c1
InChIInChI=1S/C26H26N6O2/c1-2-3-15-8-9-28-20(12-15)30-26(33)17-6-4-16(5-7-17)22-23-24(27)29-10-11-32(23)25(31-22)21-18-13-34-14-19(18)21/h4-12,18-19,21H,2-3,13-14H2,1H3,(H2,27,29)(H,28,30,33)/t18-,19+,21?
InChIKeyIRAGHCCFOVNYPT-PMSBKCLSSA-N
MW454.53 g/mol
LogP3.94
Rot. Bonds6

About 4-[8-amino-3-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propyl-2-pyridinyl)benzamide

4-[8-amino-3-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propyl-2-pyridinyl)benzamide (PubChem CID 71223239) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 4-[8-amino-3-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[8-amino-3-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propyl-2-pyridinyl)benzamide
PubChem CID71223239
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name4-[8-amino-3-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propyl-2-pyridinyl)benzamide
SMILESCCCc1ccnc(NC(=O)c2ccc(-c3nc(C4[C@H]5COC[C@@H]45)n4ccnc(N)c34)cc2)c1
InChIInChI=1S/C26H26N6O2/c1-2-3-15-8-9-28-20(12-15)30-26(33)17-6-4-16(5-7-17)22-23-24(27)29-10-11-32(23)25(31-22)21-18-13-34-14-19(18)21/h4-12,18-19,21H,2-3,13-14H2,1H3,(H2,27,29)(H,28,30,33)/t18-,19+,21?
InChIKeyIRAGHCCFOVNYPT-PMSBKCLSSA-N
XLogP3.94
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[8-amino-3-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propyl-2-pyridinyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propyl-2-pyridinyl)benzamide?
The IUPAC name of 4-[8-amino-3-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propyl-2-pyridinyl)benzamide (CID 71223239) is 4-[8-amino-3-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[8-amino-3-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-[8-amino-3-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propyl-2-pyridinyl)benzamide is CCCc1ccnc(NC(=O)c2ccc(-c3nc(C4[C@H]5COC[C@@H]45)n4ccnc(N)c34)cc2)c1.
What is the InChIKey of 4-[8-amino-3-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propyl-2-pyridinyl)benzamide?
The InChIKey is IRAGHCCFOVNYPT-PMSBKCLSSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-2-3-15-8-9-28-20(12-15)30-26(33)17-6-4-16(5-7-17)22-23-24(27)29-10-11-32(23)25(31-22)21-18-13-34-14-19(18)21/h4-12,18-19,21H,2-3,13-14H2,1H3,(H2,27,29)(H,28,30,33)/t18-,19+,21?.
What are the key properties of 4-[8-amino-3-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propyl-2-pyridinyl)benzamide?
4-[8-amino-3-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propyl-2-pyridinyl)benzamide has a molecular weight of 454.53 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propyl-2-pyridinyl)benzamide is sourced from PubChem (CID 71223239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).