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

C24H25N7O3S — CID 71222608

IUPAC4-[8-amino-3-[(3R)-1-methylsulfonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
SMILESCS(=O)(=O)N1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c3c(N)nccn23)C1
InChIInChI=1S/C24H25N7O3S/c1-35(33,34)30-13-4-5-18(15-30)23-29-20(21-22(25)27-12-14-31(21)23)16-7-9-17(10-8-16)24(32)28-19-6-2-3-11-26-19/h2-3,6-12,14,18H,4-5,13,15H2,1H3,(H2,25,27)(H,26,28,32)/t18-/m1/s1
InChIKeyJGLSZZIIGNOOLY-GOSISDBHSA-N
MW491.58 g/mol
LogP2.76
Rot. Bonds5

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

4-[8-amino-3-[(3R)-1-methylsulfonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide (PubChem CID 71222608) has the molecular formula C24H25N7O3S and a molecular weight of 491.58 g/mol. Its IUPAC name is 4-[8-amino-3-[(3R)-1-methylsulfonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-[8-amino-3-[(3R)-1-methylsulfonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
PubChem CID71222608
Molecular FormulaC24H25N7O3S
Molecular Weight491.58 g/mol
Exact Mass491.17
IUPAC Name4-[8-amino-3-[(3R)-1-methylsulfonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
SMILESCS(=O)(=O)N1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c3c(N)nccn23)C1
InChIInChI=1S/C24H25N7O3S/c1-35(33,34)30-13-4-5-18(15-30)23-29-20(21-22(25)27-12-14-31(21)23)16-7-9-17(10-8-16)24(32)28-19-6-2-3-11-26-19/h2-3,6-12,14,18H,4-5,13,15H2,1H3,(H2,25,27)(H,26,28,32)/t18-/m1/s1
InChIKeyJGLSZZIIGNOOLY-GOSISDBHSA-N
XLogP2.76
TPSA135.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.58
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[(3R)-1-methylsulfonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-[8-amino-3-[(3R)-1-methylsulfonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide (CID 71222608) is 4-[8-amino-3-[(3R)-1-methylsulfonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-[8-amino-3-[(3R)-1-methylsulfonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-[8-amino-3-[(3R)-1-methylsulfonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide is CS(=O)(=O)N1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c3c(N)nccn23)C1.
What is the InChIKey of 4-[8-amino-3-[(3R)-1-methylsulfonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?
The InChIKey is JGLSZZIIGNOOLY-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25N7O3S/c1-35(33,34)30-13-4-5-18(15-30)23-29-20(21-22(25)27-12-14-31(21)23)16-7-9-17(10-8-16)24(32)28-19-6-2-3-11-26-19/h2-3,6-12,14,18H,4-5,13,15H2,1H3,(H2,25,27)(H,26,28,32)/t18-/m1/s1.
What are the key properties of 4-[8-amino-3-[(3R)-1-methylsulfonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?
4-[8-amino-3-[(3R)-1-methylsulfonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide has a molecular weight of 491.58 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-[(3R)-1-methylsulfonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 71222608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).