4-[8-amino-3-(4-aminobutanoyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide

C23H23N7O3 — CID 135177660

IUPAC4-[8-amino-3-(4-aminobutanoyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide
SMILESCOc1cc(-c2nc(C(=O)CCCN)n3ccnc(N)c23)ccc1C(=O)Nc1ccccn1
InChIInChI=1S/C23H23N7O3/c1-33-17-13-14(7-8-15(17)23(32)28-18-6-2-3-10-26-18)19-20-21(25)27-11-12-30(20)22(29-19)16(31)5-4-9-24/h2-3,6-8,10-13H,4-5,9,24H2,1H3,(H2,25,27)(H,26,28,32)
InChIKeyARQMTKAMFDAMSY-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.56
Rot. Bonds8

About 4-[8-amino-3-(4-aminobutanoyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide

4-[8-amino-3-(4-aminobutanoyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide (PubChem CID 135177660) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 4-[8-amino-3-(4-aminobutanoyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-[8-amino-3-(4-aminobutanoyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide
PubChem CID135177660
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name4-[8-amino-3-(4-aminobutanoyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide
SMILESCOc1cc(-c2nc(C(=O)CCCN)n3ccnc(N)c23)ccc1C(=O)Nc1ccccn1
InChIInChI=1S/C23H23N7O3/c1-33-17-13-14(7-8-15(17)23(32)28-18-6-2-3-10-26-18)19-20-21(25)27-11-12-30(20)22(29-19)16(31)5-4-9-24/h2-3,6-8,10-13H,4-5,9,24H2,1H3,(H2,25,27)(H,26,28,32)
InChIKeyARQMTKAMFDAMSY-UHFFFAOYSA-N
XLogP2.56
TPSA150.52 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-(4-aminobutanoyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-[8-amino-3-(4-aminobutanoyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide (CID 135177660) is 4-[8-amino-3-(4-aminobutanoyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-[8-amino-3-(4-aminobutanoyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-[8-amino-3-(4-aminobutanoyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide is COc1cc(-c2nc(C(=O)CCCN)n3ccnc(N)c23)ccc1C(=O)Nc1ccccn1.
What is the InChIKey of 4-[8-amino-3-(4-aminobutanoyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide?
The InChIKey is ARQMTKAMFDAMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c1-33-17-13-14(7-8-15(17)23(32)28-18-6-2-3-10-26-18)19-20-21(25)27-11-12-30(20)22(29-19)16(31)5-4-9-24/h2-3,6-8,10-13H,4-5,9,24H2,1H3,(H2,25,27)(H,26,28,32).
What are the key properties of 4-[8-amino-3-(4-aminobutanoyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide?
4-[8-amino-3-(4-aminobutanoyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide has a molecular weight of 445.48 g/mol, XLogP of 2.56, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-(4-aminobutanoyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 135177660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).