4-[8-amino-3-[(3R)-1-propanoylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1H-imidazol-2-yl)benzamide

C24H26N8O2 — CID 138601033

IUPAC4-[8-amino-3-[(3R)-1-propanoylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1H-imidazol-2-yl)benzamide
SMILESCCC(=O)N1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4ncc[nH]4)cc3)c3c(N)nccn23)C1
InChIInChI=1S/C24H26N8O2/c1-2-18(33)31-12-3-4-17(14-31)22-29-19(20-21(25)26-11-13-32(20)22)15-5-7-16(8-6-15)23(34)30-24-27-9-10-28-24/h5-11,13,17H,2-4,12,14H2,1H3,(H2,25,26)(H2,27,28,30,34)/t17-/m1/s1
InChIKeyDYNHGUCKVVDYJU-QGZVFWFLSA-N
MW458.53 g/mol
LogP3.07
Rot. Bonds5

About 4-[8-amino-3-[(3R)-1-propanoylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1H-imidazol-2-yl)benzamide

4-[8-amino-3-[(3R)-1-propanoylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1H-imidazol-2-yl)benzamide (PubChem CID 138601033) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is 4-[8-amino-3-[(3R)-1-propanoylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1H-imidazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[8-amino-3-[(3R)-1-propanoylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1H-imidazol-2-yl)benzamide
PubChem CID138601033
Molecular FormulaC24H26N8O2
Molecular Weight458.53 g/mol
Exact Mass458.22
IUPAC Name4-[8-amino-3-[(3R)-1-propanoylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1H-imidazol-2-yl)benzamide
SMILESCCC(=O)N1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4ncc[nH]4)cc3)c3c(N)nccn23)C1
InChIInChI=1S/C24H26N8O2/c1-2-18(33)31-12-3-4-17(14-31)22-29-19(20-21(25)26-11-13-32(20)22)15-5-7-16(8-6-15)23(34)30-24-27-9-10-28-24/h5-11,13,17H,2-4,12,14H2,1H3,(H2,25,26)(H2,27,28,30,34)/t17-/m1/s1
InChIKeyDYNHGUCKVVDYJU-QGZVFWFLSA-N
XLogP3.07
TPSA134.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 138600995
4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-cyclopropyl-1-methylpyrazol-3-yl)benzamide
CID 138601029
4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]benzaldehyde
CID 138600992
4-[8-amino-3-[(3R)-1-(1-hydroxycyclopropanecarbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-ethyl-2-pyridinyl)benzamide
CID 71227300
4-[8-amino-3-[1-(2,2-difluorobutanoyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 71222879
4-[8-amino-3-(1-methylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyrazin-2-ylbenzamide
CID 144510321
4-[8-amino-3-[(3R)-1-(3-methylsulfonylpropanoyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 71222721
4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 138601059
4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
CID 89389084
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-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
CID 123536371
4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-1-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 138601054

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[(3R)-1-propanoylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1H-imidazol-2-yl)benzamide?
The IUPAC name of 4-[8-amino-3-[(3R)-1-propanoylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1H-imidazol-2-yl)benzamide (CID 138601033) is 4-[8-amino-3-[(3R)-1-propanoylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1H-imidazol-2-yl)benzamide.
What is the SMILES notation for 4-[8-amino-3-[(3R)-1-propanoylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1H-imidazol-2-yl)benzamide?
The canonical SMILES for 4-[8-amino-3-[(3R)-1-propanoylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1H-imidazol-2-yl)benzamide is CCC(=O)N1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4ncc[nH]4)cc3)c3c(N)nccn23)C1.
What is the InChIKey of 4-[8-amino-3-[(3R)-1-propanoylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1H-imidazol-2-yl)benzamide?
The InChIKey is DYNHGUCKVVDYJU-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-2-18(33)31-12-3-4-17(14-31)22-29-19(20-21(25)26-11-13-32(20)22)15-5-7-16(8-6-15)23(34)30-24-27-9-10-28-24/h5-11,13,17H,2-4,12,14H2,1H3,(H2,25,26)(H2,27,28,30,34)/t17-/m1/s1.
What are the key properties of 4-[8-amino-3-[(3R)-1-propanoylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1H-imidazol-2-yl)benzamide?
4-[8-amino-3-[(3R)-1-propanoylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1H-imidazol-2-yl)benzamide has a molecular weight of 458.53 g/mol, XLogP of 3.07, 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-[(3R)-1-propanoylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 138601033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).