4-[8-amino-3-(7-propanoyl-7-azabicyclo[2.2.1]heptan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide

C27H27N7O2 — CID 71223367

IUPAC4-[8-amino-3-(7-propanoyl-7-azabicyclo[2.2.1]heptan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
SMILESCCC(=O)N1C2CCC1C(c1nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c3c(N)nccn13)C2
InChIInChI=1S/C27H27N7O2/c1-2-22(35)34-18-10-11-20(34)19(15-18)26-32-23(24-25(28)30-13-14-33(24)26)16-6-8-17(9-7-16)27(36)31-21-5-3-4-12-29-21/h3-9,12-14,18-20H,2,10-11,15H2,1H3,(H2,28,30)(H,29,31,36)
InChIKeyPTCCDBKMTDKBKO-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.88
Rot. Bonds5

About 4-[8-amino-3-(7-propanoyl-7-azabicyclo[2.2.1]heptan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide

4-[8-amino-3-(7-propanoyl-7-azabicyclo[2.2.1]heptan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide (PubChem CID 71223367) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 4-[8-amino-3-(7-propanoyl-7-azabicyclo[2.2.1]heptan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-[8-amino-3-(7-propanoyl-7-azabicyclo[2.2.1]heptan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
PubChem CID71223367
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC Name4-[8-amino-3-(7-propanoyl-7-azabicyclo[2.2.1]heptan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
SMILESCCC(=O)N1C2CCC1C(c1nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c3c(N)nccn13)C2
InChIInChI=1S/C27H27N7O2/c1-2-22(35)34-18-10-11-20(34)19(15-18)26-32-23(24-25(28)30-13-14-33(24)26)16-6-8-17(9-7-16)27(36)31-21-5-3-4-12-29-21/h3-9,12-14,18-20H,2,10-11,15H2,1H3,(H2,28,30)(H,29,31,36)
InChIKeyPTCCDBKMTDKBKO-UHFFFAOYSA-N
XLogP3.88
TPSA118.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[8-amino-3-(7-propanoyl-7-azabicyclo[2.2.1]heptan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-(7-propanoyl-7-azabicyclo[2.2.1]heptan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-[8-amino-3-(7-propanoyl-7-azabicyclo[2.2.1]heptan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide (CID 71223367) is 4-[8-amino-3-(7-propanoyl-7-azabicyclo[2.2.1]heptan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-[8-amino-3-(7-propanoyl-7-azabicyclo[2.2.1]heptan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-[8-amino-3-(7-propanoyl-7-azabicyclo[2.2.1]heptan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide is CCC(=O)N1C2CCC1C(c1nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c3c(N)nccn13)C2.
What is the InChIKey of 4-[8-amino-3-(7-propanoyl-7-azabicyclo[2.2.1]heptan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?
The InChIKey is PTCCDBKMTDKBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-2-22(35)34-18-10-11-20(34)19(15-18)26-32-23(24-25(28)30-13-14-33(24)26)16-6-8-17(9-7-16)27(36)31-21-5-3-4-12-29-21/h3-9,12-14,18-20H,2,10-11,15H2,1H3,(H2,28,30)(H,29,31,36).
What are the key properties of 4-[8-amino-3-(7-propanoyl-7-azabicyclo[2.2.1]heptan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?
4-[8-amino-3-(7-propanoyl-7-azabicyclo[2.2.1]heptan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide has a molecular weight of 481.56 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-(7-propanoyl-7-azabicyclo[2.2.1]heptan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 71223367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).