5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol

C23H29N7O — CID 153382907

IUPAC5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol
SMILES[H]/N=C/C(=C\N)c1ccc(-c2cnc3c(ncn3C3CC(C)(C)NC(C)(C)C3)n2)c(O)c1
InChIInChI=1S/C23H29N7O/c1-22(2)8-16(9-23(3,4)29-22)30-13-27-20-21(30)26-12-18(28-20)17-6-5-14(7-19(17)31)15(10-24)11-25/h5-7,10-13,16,24,29,31H,8-9,25H2,1-4H3/b15-11+,24-10+
InChIKeyVJXAHADGRMELJD-FCYQTEQMSA-N
MW419.53 g/mol
LogP3.63
Rot. Bonds4

About 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol

5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol (PubChem CID 153382907) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol.

Molecular Properties

Compound Name5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol
PubChem CID153382907
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC Name5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol
SMILES[H]/N=C/C(=C\N)c1ccc(-c2cnc3c(ncn3C3CC(C)(C)NC(C)(C)C3)n2)c(O)c1
InChIInChI=1S/C23H29N7O/c1-22(2)8-16(9-23(3,4)29-22)30-13-27-20-21(30)26-12-18(28-20)17-6-5-14(7-19(17)31)15(10-24)11-25/h5-7,10-13,16,24,29,31H,8-9,25H2,1-4H3/b15-11+,24-10+
InChIKeyVJXAHADGRMELJD-FCYQTEQMSA-N
XLogP3.63
TPSA125.73 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol?
The IUPAC name of 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol (CID 153382907) is 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol.
What is the SMILES notation for 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol?
The canonical SMILES for 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol is [H]/N=C/C(=C\N)c1ccc(-c2cnc3c(ncn3C3CC(C)(C)NC(C)(C)C3)n2)c(O)c1.
What is the InChIKey of 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol?
The InChIKey is VJXAHADGRMELJD-FCYQTEQMSA-N. The full InChI is InChI=1S/C23H29N7O/c1-22(2)8-16(9-23(3,4)29-22)30-13-27-20-21(30)26-12-18(28-20)17-6-5-14(7-19(17)31)15(10-24)11-25/h5-7,10-13,16,24,29,31H,8-9,25H2,1-4H3/b15-11+,24-10+.
What are the key properties of 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol?
5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol has a molecular weight of 419.53 g/mol, XLogP of 3.63, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol is sourced from PubChem (CID 153382907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).