N-[(4-cyanophenyl)methyl]-7-[[1-[(3R)-3,4-dihydroxy-2-methylbutan-2-yl]sulfonylcyclopropyl]methyl]-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazine-3-carboxamide

C24H29N5O6S — CID 174274988

IUPACN-[(4-cyanophenyl)methyl]-7-[[1-[(3R)-3,4-dihydroxy-2-methylbutan-2-yl]sulfonylcyclopropyl]methyl]-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazine-3-carboxamide
SMILESCC(C)([C@H](O)CO)S(=O)(=O)C1(CN2CCn3c(cnc3C(=O)NCc3ccc(C#N)cc3)C2=O)CC1
InChIInChI=1S/C24H29N5O6S/c1-23(2,19(31)14-30)36(34,35)24(7-8-24)15-28-9-10-29-18(22(28)33)13-26-20(29)21(32)27-12-17-5-3-16(11-25)4-6-17/h3-6,13,19,30-31H,7-10,12,14-15H2,1-2H3,(H,27,32)/t19-/m1/s1
InChIKeyIVAACHIXYLINGG-LJQANCHMSA-N
MW515.59 g/mol
LogP0.22
Rot. Bonds9

About N-[(4-cyanophenyl)methyl]-7-[[1-[(3R)-3,4-dihydroxy-2-methylbutan-2-yl]sulfonylcyclopropyl]methyl]-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazine-3-carboxamide

N-[(4-cyanophenyl)methyl]-7-[[1-[(3R)-3,4-dihydroxy-2-methylbutan-2-yl]sulfonylcyclopropyl]methyl]-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazine-3-carboxamide (PubChem CID 174274988) has the molecular formula C24H29N5O6S and a molecular weight of 515.59 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-7-[[1-[(3R)-3,4-dihydroxy-2-methylbutan-2-yl]sulfonylcyclopropyl]methyl]-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-7-[[1-[(3R)-3,4-dihydroxy-2-methylbutan-2-yl]sulfonylcyclopropyl]methyl]-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazine-3-carboxamide
PubChem CID174274988
Molecular FormulaC24H29N5O6S
Molecular Weight515.59 g/mol
Exact Mass515.18
IUPAC NameN-[(4-cyanophenyl)methyl]-7-[[1-[(3R)-3,4-dihydroxy-2-methylbutan-2-yl]sulfonylcyclopropyl]methyl]-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazine-3-carboxamide
SMILESCC(C)([C@H](O)CO)S(=O)(=O)C1(CN2CCn3c(cnc3C(=O)NCc3ccc(C#N)cc3)C2=O)CC1
InChIInChI=1S/C24H29N5O6S/c1-23(2,19(31)14-30)36(34,35)24(7-8-24)15-28-9-10-29-18(22(28)33)13-26-20(29)21(32)27-12-17-5-3-16(11-25)4-6-17/h3-6,13,19,30-31H,7-10,12,14-15H2,1-2H3,(H,27,32)/t19-/m1/s1
InChIKeyIVAACHIXYLINGG-LJQANCHMSA-N
XLogP0.22
TPSA165.62 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.59
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(4-cyanophenyl)methyl]-7-[[1-[(3R)-3,4-dihydroxy-2-methylbutan-2-yl]sulfonylcyclopropyl]methyl]-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-7-[[1-[(3R)-3,4-dihydroxy-2-methylbutan-2-yl]sulfonylcyclopropyl]methyl]-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-7-[[1-[(3R)-3,4-dihydroxy-2-methylbutan-2-yl]sulfonylcyclopropyl]methyl]-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazine-3-carboxamide (CID 174274988) is N-[(4-cyanophenyl)methyl]-7-[[1-[(3R)-3,4-dihydroxy-2-methylbutan-2-yl]sulfonylcyclopropyl]methyl]-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-7-[[1-[(3R)-3,4-dihydroxy-2-methylbutan-2-yl]sulfonylcyclopropyl]methyl]-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-7-[[1-[(3R)-3,4-dihydroxy-2-methylbutan-2-yl]sulfonylcyclopropyl]methyl]-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazine-3-carboxamide is CC(C)([C@H](O)CO)S(=O)(=O)C1(CN2CCn3c(cnc3C(=O)NCc3ccc(C#N)cc3)C2=O)CC1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-7-[[1-[(3R)-3,4-dihydroxy-2-methylbutan-2-yl]sulfonylcyclopropyl]methyl]-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is IVAACHIXYLINGG-LJQANCHMSA-N. The full InChI is InChI=1S/C24H29N5O6S/c1-23(2,19(31)14-30)36(34,35)24(7-8-24)15-28-9-10-29-18(22(28)33)13-26-20(29)21(32)27-12-17-5-3-16(11-25)4-6-17/h3-6,13,19,30-31H,7-10,12,14-15H2,1-2H3,(H,27,32)/t19-/m1/s1.
What are the key properties of N-[(4-cyanophenyl)methyl]-7-[[1-[(3R)-3,4-dihydroxy-2-methylbutan-2-yl]sulfonylcyclopropyl]methyl]-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazine-3-carboxamide?
N-[(4-cyanophenyl)methyl]-7-[[1-[(3R)-3,4-dihydroxy-2-methylbutan-2-yl]sulfonylcyclopropyl]methyl]-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 515.59 g/mol, XLogP of 0.22, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-7-[[1-[(3R)-3,4-dihydroxy-2-methylbutan-2-yl]sulfonylcyclopropyl]methyl]-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 174274988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).