6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-N-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridine-4-carboxamide

C20H23N5O3S — CID 155193989

IUPAC6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-N-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridine-4-carboxamide
SMILESCNC(=O)c1nc(-c2sc(NC(C)=O)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2
InChIInChI=1S/C20H23N5O3S/c1-9-17(29-20(22-9)23-11(3)26)14-7-13-8-25(10(2)12-5-6-12)19(28)15(13)16(24-14)18(27)21-4/h7,10,12H,5-6,8H2,1-4H3,(H,21,27)(H,22,23,26)/t10-/m0/s1
InChIKeyGNSPVMHBXYKTEC-JTQLQIEISA-N
MW413.50 g/mol
LogP2.59
Rot. Bonds5

About 6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-N-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridine-4-carboxamide

6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-N-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridine-4-carboxamide (PubChem CID 155193989) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-N-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-N-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridine-4-carboxamide
PubChem CID155193989
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-N-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridine-4-carboxamide
SMILESCNC(=O)c1nc(-c2sc(NC(C)=O)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2
InChIInChI=1S/C20H23N5O3S/c1-9-17(29-20(22-9)23-11(3)26)14-7-13-8-25(10(2)12-5-6-12)19(28)15(13)16(24-14)18(27)21-4/h7,10,12H,5-6,8H2,1-4H3,(H,21,27)(H,22,23,26)/t10-/m0/s1
InChIKeyGNSPVMHBXYKTEC-JTQLQIEISA-N
XLogP2.59
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-N-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-N-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridine-4-carboxamide?
The IUPAC name of 6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-N-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridine-4-carboxamide (CID 155193989) is 6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-N-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-N-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridine-4-carboxamide?
The canonical SMILES for 6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-N-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridine-4-carboxamide is CNC(=O)c1nc(-c2sc(NC(C)=O)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.
What is the InChIKey of 6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-N-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridine-4-carboxamide?
The InChIKey is GNSPVMHBXYKTEC-JTQLQIEISA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-9-17(29-20(22-9)23-11(3)26)14-7-13-8-25(10(2)12-5-6-12)19(28)15(13)16(24-14)18(27)21-4/h7,10,12H,5-6,8H2,1-4H3,(H,21,27)(H,22,23,26)/t10-/m0/s1.
What are the key properties of 6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-N-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridine-4-carboxamide?
6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-N-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridine-4-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-[(1S)-1-cyclopropylethyl]-N-methyl-3-oxo-1H-pyrrolo[3,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 155193989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).