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

C54H52N16O2 — CID 161142999

IUPAC4-[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
SMILESCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCc5c4cnn5C)n4ccnc(N)c34)cc2)c1.Cc1ccnc(NC(=O)c2ccc(-c3nc([C@H]4CCCc5c4cnn5C)n4ccnc(N)c34)cc2)c1
InChIInChI=1S/2C27H26N8O/c2*1-16-10-11-29-22(14-16)32-27(36)18-8-6-17(7-9-18)23-24-25(28)30-12-13-35(24)26(33-23)19-4-3-5-21-20(19)15-31-34(21)2/h2*6-15,19H,3-5H2,1-2H3,(H2,28,30)(H,29,32,36)/t2*19-/m10/s1
InChIKeyUNROYFLAJGECOW-OYPHMNEHSA-N
MW957.12 g/mol
LogP8.27
Rot. Bonds8

About 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

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 (PubChem CID 161142999) has the molecular formula C54H52N16O2 and a molecular weight of 957.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID161142999
Molecular FormulaC54H52N16O2
Molecular Weight957.12 g/mol
Exact Mass956.45
IUPAC Name4-[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
SMILESCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCc5c4cnn5C)n4ccnc(N)c34)cc2)c1.Cc1ccnc(NC(=O)c2ccc(-c3nc([C@H]4CCCc5c4cnn5C)n4ccnc(N)c34)cc2)c1
InChIInChI=1S/2C27H26N8O/c2*1-16-10-11-29-22(14-16)32-27(36)18-8-6-17(7-9-18)23-24-25(28)30-12-13-35(24)26(33-23)19-4-3-5-21-20(19)15-31-34(21)2/h2*6-15,19H,3-5H2,1-2H3,(H2,28,30)(H,29,32,36)/t2*19-/m10/s1
InChIKeyUNROYFLAJGECOW-OYPHMNEHSA-N
XLogP8.27
TPSA232.04 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500957.12
LogP ≤ 58.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

4-[8-amino-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[5-cyclohexyl-4-(trifluoromethyl)piperidin-2-yl]benzamide
CID 144673956
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-[(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-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-cycloheptyl-4-(trifluoromethyl)piperidin-2-yl]benzamide
CID 138465493
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-[(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-(1-aminopropan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 90323767
4-[8-amino-3-(1-methylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 144510170
4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(4-fluoro-2-pyridinyl)benzamide
CID 71226257
4-[8-amino-3-(1-methylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyrazin-2-ylbenzamide
CID 144510321

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCc5c4cnn5C)n4ccnc(N)c34)cc2)c1.Cc1ccnc(NC(=O)c2ccc(-c3nc([C@H]4CCCc5c4cnn5C)n4ccnc(N)c34)cc2)c1.
What is the InChIKey of 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?
The InChIKey is UNROYFLAJGECOW-OYPHMNEHSA-N. The full InChI is InChI=1S/2C27H26N8O/c2*1-16-10-11-29-22(14-16)32-27(36)18-8-6-17(7-9-18)23-24-25(28)30-12-13-35(24)26(33-23)19-4-3-5-21-20(19)15-31-34(21)2/h2*6-15,19H,3-5H2,1-2H3,(H2,28,30)(H,29,32,36)/t2*19-/m10/s1.
What are the key properties of 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?
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 has a molecular weight of 957.12 g/mol, XLogP of 8.27, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161142999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).