8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxamide

C24H28N6O4S — CID 146544868

IUPAC8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxamide
SMILESCC(C)NC(=O)c1cn2c(-c3cc4c(c(S(C)(=O)=O)c3)C(=O)N([C@@H](C)C3CC3)C4)cnc2c(N)n1
InChIInChI=1S/C24H28N6O4S/c1-12(2)27-23(31)17-11-30-18(9-26-22(30)21(25)28-17)15-7-16-10-29(13(3)14-5-6-14)24(32)20(16)19(8-15)35(4,33)34/h7-9,11-14H,5-6,10H2,1-4H3,(H2,25,28)(H,27,31)/t13-/m0/s1
InChIKeyOGZZZCJMTKAMPB-ZDUSSCGKSA-N
MW496.59 g/mol
LogP2.27
Rot. Bonds6

About 8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxamide

8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 146544868) has the molecular formula C24H28N6O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is 8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID146544868
Molecular FormulaC24H28N6O4S
Molecular Weight496.59 g/mol
Exact Mass496.19
IUPAC Name8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxamide
SMILESCC(C)NC(=O)c1cn2c(-c3cc4c(c(S(C)(=O)=O)c3)C(=O)N([C@@H](C)C3CC3)C4)cnc2c(N)n1
InChIInChI=1S/C24H28N6O4S/c1-12(2)27-23(31)17-11-30-18(9-26-22(30)21(25)28-17)15-7-16-10-29(13(3)14-5-6-14)24(32)20(16)19(8-15)35(4,33)34/h7-9,11-14H,5-6,10H2,1-4H3,(H2,25,28)(H,27,31)/t13-/m0/s1
InChIKeyOGZZZCJMTKAMPB-ZDUSSCGKSA-N
XLogP2.27
TPSA139.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxamide (CID 146544868) is 8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxamide is CC(C)NC(=O)c1cn2c(-c3cc4c(c(S(C)(=O)=O)c3)C(=O)N([C@@H](C)C3CC3)C4)cnc2c(N)n1.
What is the InChIKey of 8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is OGZZZCJMTKAMPB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H28N6O4S/c1-12(2)27-23(31)17-11-30-18(9-26-22(30)21(25)28-17)15-7-16-10-29(13(3)14-5-6-14)24(32)20(16)19(8-15)35(4,33)34/h7-9,11-14H,5-6,10H2,1-4H3,(H2,25,28)(H,27,31)/t13-/m0/s1.
What are the key properties of 8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxamide?
8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 146544868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).