1-[4-[1-(4-tert-butylanilino)ethenyl]-3-methylphenyl]-3-methylimidazo[1,5-a]pyrazin-8-amine

C26H29N5 — CID 145426648

IUPAC1-[4-[1-(4-tert-butylanilino)ethenyl]-3-methylphenyl]-3-methylimidazo[1,5-a]pyrazin-8-amine
SMILESC=C(Nc1ccc(C(C)(C)C)cc1)c1ccc(-c2nc(C)n3ccnc(N)c23)cc1C
InChIInChI=1S/C26H29N5/c1-16-15-19(23-24-25(27)28-13-14-31(24)18(3)30-23)7-12-22(16)17(2)29-21-10-8-20(9-11-21)26(4,5)6/h7-15,29H,2H2,1,3-6H3,(H2,27,28)
InChIKeyXFKFIRDIVFQHAE-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.98
Rot. Bonds4

About 1-[4-[1-(4-tert-butylanilino)ethenyl]-3-methylphenyl]-3-methylimidazo[1,5-a]pyrazin-8-amine

1-[4-[1-(4-tert-butylanilino)ethenyl]-3-methylphenyl]-3-methylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 145426648) has the molecular formula C26H29N5 and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-[4-[1-(4-tert-butylanilino)ethenyl]-3-methylphenyl]-3-methylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-[4-[1-(4-tert-butylanilino)ethenyl]-3-methylphenyl]-3-methylimidazo[1,5-a]pyrazin-8-amine
PubChem CID145426648
Molecular FormulaC26H29N5
Molecular Weight411.55 g/mol
Exact Mass411.24
IUPAC Name1-[4-[1-(4-tert-butylanilino)ethenyl]-3-methylphenyl]-3-methylimidazo[1,5-a]pyrazin-8-amine
SMILESC=C(Nc1ccc(C(C)(C)C)cc1)c1ccc(-c2nc(C)n3ccnc(N)c23)cc1C
InChIInChI=1S/C26H29N5/c1-16-15-19(23-24-25(27)28-13-14-31(24)18(3)30-23)7-12-22(16)17(2)29-21-10-8-20(9-11-21)26(4,5)6/h7-15,29H,2H2,1,3-6H3,(H2,27,28)
InChIKeyXFKFIRDIVFQHAE-UHFFFAOYSA-N
XLogP5.98
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 129228976
7-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)-N-(3-tert-butyl-1-methylpyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 178093095
3-tert-butyl-1-(1-methylindol-5-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71207842
4-[8-amino-3-[(2R)-1-but-2-ynoyl-2-methylsulfanylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide
CID 145426656
5-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine
CID 172560855
4-[8-amino-3-[3-[(E)-4-methylpent-2-enoyl]imidazolidin-1-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(3,5-dimethyl-2-pyridinyl)-2-methylbenzamide
CID 139304197
1-naphthalen-2-yl-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine
CID 53345681
3-tert-butyl-1-pyridin-3-ylimidazo[1,5-a]pyrazin-8-amine
CID 126822618
4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-phenylbenzamide
CID 139304195
4-[8-amino-3-(4-aminobutanoyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide
CID 135177660
4-[8-amino-3-(aminomethyl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 71226567
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 1-[4-[1-(4-tert-butylanilino)ethenyl]-3-methylphenyl]-3-methylimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-[4-[1-(4-tert-butylanilino)ethenyl]-3-methylphenyl]-3-methylimidazo[1,5-a]pyrazin-8-amine (CID 145426648) is 1-[4-[1-(4-tert-butylanilino)ethenyl]-3-methylphenyl]-3-methylimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-[4-[1-(4-tert-butylanilino)ethenyl]-3-methylphenyl]-3-methylimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-[4-[1-(4-tert-butylanilino)ethenyl]-3-methylphenyl]-3-methylimidazo[1,5-a]pyrazin-8-amine is C=C(Nc1ccc(C(C)(C)C)cc1)c1ccc(-c2nc(C)n3ccnc(N)c23)cc1C.
What is the InChIKey of 1-[4-[1-(4-tert-butylanilino)ethenyl]-3-methylphenyl]-3-methylimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is XFKFIRDIVFQHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5/c1-16-15-19(23-24-25(27)28-13-14-31(24)18(3)30-23)7-12-22(16)17(2)29-21-10-8-20(9-11-21)26(4,5)6/h7-15,29H,2H2,1,3-6H3,(H2,27,28).
What are the key properties of 1-[4-[1-(4-tert-butylanilino)ethenyl]-3-methylphenyl]-3-methylimidazo[1,5-a]pyrazin-8-amine?
1-[4-[1-(4-tert-butylanilino)ethenyl]-3-methylphenyl]-3-methylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 411.55 g/mol, XLogP of 5.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-tert-butylanilino)ethenyl]-3-methylphenyl]-3-methylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 145426648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).