4-[8-amino-3-(1-aminopropan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide

C22H23N7O — CID 90323767

IUPAC4-[8-amino-3-(1-aminopropan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(-c3nc(C(C)CN)n4ccnc(N)c34)cc2)c1
InChIInChI=1S/C22H23N7O/c1-13-7-8-25-17(11-13)27-22(30)16-5-3-15(4-6-16)18-19-20(24)26-9-10-29(19)21(28-18)14(2)12-23/h3-11,14H,12,23H2,1-2H3,(H2,24,26)(H,25,27,30)
InChIKeyKWCJTOXBXIQIBM-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.00
Rot. Bonds5

About 4-[8-amino-3-(1-aminopropan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide

4-[8-amino-3-(1-aminopropan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 90323767) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-[8-amino-3-(1-aminopropan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[8-amino-3-(1-aminopropan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID90323767
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name4-[8-amino-3-(1-aminopropan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(-c3nc(C(C)CN)n4ccnc(N)c34)cc2)c1
InChIInChI=1S/C22H23N7O/c1-13-7-8-25-17(11-13)27-22(30)16-5-3-15(4-6-16)18-19-20(24)26-9-10-29(19)21(28-18)14(2)12-23/h3-11,14H,12,23H2,1-2H3,(H2,24,26)(H,25,27,30)
InChIKeyKWCJTOXBXIQIBM-UHFFFAOYSA-N
XLogP3.00
TPSA124.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[8-amino-3-[4-[(1-hydroxycyclopropanecarbonyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 167651590
4-[8-amino-3-(aminomethyl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 71226567
4-[8-amino-3-[(6S,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 90296326
4-[8-amino-3-[(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 90296327
4-[8-amino-3-[(1S)-1-(but-2-ynoylamino)ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 129126138
4-[8-amino-3-[(3R,6S)-6-methyl-1-(2-oxobutanoyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 90323762
4-[8-amino-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 90323720
4-[8-amino-3-(1-prop-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 78131087
4-[8-amino-3-(1-prop-2-enoylpiperidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 123273568
4-[8-amino-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 161142999
N-[4-[8-amino-1-[4-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-4-isocyanooxane-4-carboxamide
CID 167651594
5-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]furan-2-carboxylic acid
CID 121455834

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-(1-aminopropan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-[8-amino-3-(1-aminopropan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide (CID 90323767) is 4-[8-amino-3-(1-aminopropan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[8-amino-3-(1-aminopropan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-[8-amino-3-(1-aminopropan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide is Cc1ccnc(NC(=O)c2ccc(-c3nc(C(C)CN)n4ccnc(N)c34)cc2)c1.
What is the InChIKey of 4-[8-amino-3-(1-aminopropan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is KWCJTOXBXIQIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-13-7-8-25-17(11-13)27-22(30)16-5-3-15(4-6-16)18-19-20(24)26-9-10-29(19)21(28-18)14(2)12-23/h3-11,14H,12,23H2,1-2H3,(H2,24,26)(H,25,27,30).
What are the key properties of 4-[8-amino-3-(1-aminopropan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide?
4-[8-amino-3-(1-aminopropan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 401.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-(1-aminopropan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 90323767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).