8-amino-N,N,3-trimethyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide

C23H20F3N7O2 — CID 71222941

IUPAC8-amino-N,N,3-trimethyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide
SMILESCc1nc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c2c(N)ncc(C(=O)N(C)C)n12
InChIInChI=1S/C23H20F3N7O2/c1-12-30-18(19-20(27)29-11-16(33(12)19)22(35)32(2)3)13-4-6-14(7-5-13)21(34)31-17-10-15(8-9-28-17)23(24,25)26/h4-11H,1-3H3,(H2,27,29)(H,28,31,34)
InChIKeyUOLSVAVHNMZQPY-UHFFFAOYSA-N
MW483.45 g/mol
LogP3.65
Rot. Bonds4

About 8-amino-N,N,3-trimethyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide

8-amino-N,N,3-trimethyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide (PubChem CID 71222941) has the molecular formula C23H20F3N7O2 and a molecular weight of 483.45 g/mol. Its IUPAC name is 8-amino-N,N,3-trimethyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name8-amino-N,N,3-trimethyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide
PubChem CID71222941
Molecular FormulaC23H20F3N7O2
Molecular Weight483.45 g/mol
Exact Mass483.16
IUPAC Name8-amino-N,N,3-trimethyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide
SMILESCc1nc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c2c(N)ncc(C(=O)N(C)C)n12
InChIInChI=1S/C23H20F3N7O2/c1-12-30-18(19-20(27)29-11-16(33(12)19)22(35)32(2)3)13-4-6-14(7-5-13)21(34)31-17-10-15(8-9-28-17)23(24,25)26/h4-11H,1-3H3,(H2,27,29)(H,28,31,34)
InChIKeyUOLSVAVHNMZQPY-UHFFFAOYSA-N
XLogP3.65
TPSA118.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-amino-N-benzyl-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide
CID 71222749
8-amino-N-(3-methoxypropyl)-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide
CID 71223410
5-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]furan-2-carboxylic acid
CID 121455834
4-[8-amino-5-methyl-3-[1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 71222735
4-[8-amino-5-chloro-3-[(2R)-4-propanoylmorpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 89395270
4-[8-amino-5-methyl-3-[(2R)-4-(3-methyloxetane-3-carbonyl)morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 71226152
3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1,3-dimethylcyclopentane-1-carboxylic acid
CID 121455600
4-[3-(4-acetamido-1-bicyclo[2.2.1]heptanyl)-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 146530526
4-[8-amino-3-[(3R)-1-(cyclopropanecarbonyl)-6-methylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 144510332
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-[1-[[1-(dimethylamino)cyclopropyl]methyl]piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 123956527
3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-3-methyl-1-propan-2-ylcyclopentane-1-carboxylic acid
CID 121455539

Frequently Asked Questions

What is the IUPAC name of 8-amino-N,N,3-trimethyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 8-amino-N,N,3-trimethyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide (CID 71222941) is 8-amino-N,N,3-trimethyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 8-amino-N,N,3-trimethyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 8-amino-N,N,3-trimethyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide is Cc1nc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c2c(N)ncc(C(=O)N(C)C)n12.
What is the InChIKey of 8-amino-N,N,3-trimethyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is UOLSVAVHNMZQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N7O2/c1-12-30-18(19-20(27)29-11-16(33(12)19)22(35)32(2)3)13-4-6-14(7-5-13)21(34)31-17-10-15(8-9-28-17)23(24,25)26/h4-11H,1-3H3,(H2,27,29)(H,28,31,34).
What are the key properties of 8-amino-N,N,3-trimethyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide?
8-amino-N,N,3-trimethyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 483.45 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N,N,3-trimethyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 71222941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).