[5-[[7-cyclopropylimino-5-[3-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl (2S)-2-aminopropanoate

C24H26N8O6S — CID 173491874

IUPAC[5-[[7-cyclopropylimino-5-[3-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OCn1c(O)c(C=c2cnn3/c(=N/C4CC4)cc(-c4cccc(NS(C)(=O)=O)c4)nc23)[nH]c1=O
InChIInChI=1S/C24H26N8O6S/c1-13(25)23(34)38-12-31-22(33)19(29-24(31)35)9-15-11-26-32-20(27-16-6-7-16)10-18(28-21(15)32)14-4-3-5-17(8-14)30-39(2,36)37/h3-5,8-11,13,16,30,33H,6-7,12,25H2,1-2H3,(H,29,35)/b15-9?,27-20+/t13-/m0/s1
InChIKeyAQARJTYZITWPDD-HIJRJUFGSA-N
MW554.59 g/mol
LogP-0.58
Rot. Bonds8

About [5-[[7-cyclopropylimino-5-[3-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl (2S)-2-aminopropanoate

[5-[[7-cyclopropylimino-5-[3-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl (2S)-2-aminopropanoate (PubChem CID 173491874) has the molecular formula C24H26N8O6S and a molecular weight of 554.59 g/mol. Its IUPAC name is [5-[[7-cyclopropylimino-5-[3-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl (2S)-2-aminopropanoate.

Molecular Properties

Compound Name[5-[[7-cyclopropylimino-5-[3-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl (2S)-2-aminopropanoate
PubChem CID173491874
Molecular FormulaC24H26N8O6S
Molecular Weight554.59 g/mol
Exact Mass554.17
IUPAC Name[5-[[7-cyclopropylimino-5-[3-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OCn1c(O)c(C=c2cnn3/c(=N/C4CC4)cc(-c4cccc(NS(C)(=O)=O)c4)nc23)[nH]c1=O
InChIInChI=1S/C24H26N8O6S/c1-13(25)23(34)38-12-31-22(33)19(29-24(31)35)9-15-11-26-32-20(27-16-6-7-16)10-18(28-21(15)32)14-4-3-5-17(8-14)30-39(2,36)37/h3-5,8-11,13,16,30,33H,6-7,12,25H2,1-2H3,(H,29,35)/b15-9?,27-20+/t13-/m0/s1
InChIKeyAQARJTYZITWPDD-HIJRJUFGSA-N
XLogP-0.58
TPSA199.06 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.59
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze [5-[[7-cyclopropylimino-5-[3-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl (2S)-2-aminopropanoate with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]propane-1-sulfonamide
CID 137304546
4-[[7-cyclopropylimino-5-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137037061
5-[(E)-[7-cyclopropylimino-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 137289903
ethyl 4-[[5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carbonyl]amino]butanoate
CID 137155870
4-[[7-cyclopropylimino-5-[(4-hydroxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 159233578
5-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methoxy-N-methylthiophene-2-carboxamide
CID 137317597
5-[[5-(3-chloroanilino)-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-4-hydroxy-3-methyl-1,3-thiazol-2-one
CID 137092746
N-cyclopropyl-5-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide
CID 137304369
5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 137046248
4-[(E)-[7-cyclopropylimino-5-[5-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophen-3-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137289957
4-[(E)-[7-cyclopropylimino-5-(2-methoxy-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137292508
2-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-hydroxypropyl)-2,3-dihydrothiophene-5-carboxamide
CID 173493106

Frequently Asked Questions

What is the IUPAC name of [5-[[7-cyclopropylimino-5-[3-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl (2S)-2-aminopropanoate?
The IUPAC name of [5-[[7-cyclopropylimino-5-[3-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl (2S)-2-aminopropanoate (CID 173491874) is [5-[[7-cyclopropylimino-5-[3-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl (2S)-2-aminopropanoate.
What is the SMILES notation for [5-[[7-cyclopropylimino-5-[3-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl (2S)-2-aminopropanoate?
The canonical SMILES for [5-[[7-cyclopropylimino-5-[3-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl (2S)-2-aminopropanoate is C[C@H](N)C(=O)OCn1c(O)c(C=c2cnn3/c(=N/C4CC4)cc(-c4cccc(NS(C)(=O)=O)c4)nc23)[nH]c1=O.
What is the InChIKey of [5-[[7-cyclopropylimino-5-[3-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl (2S)-2-aminopropanoate?
The InChIKey is AQARJTYZITWPDD-HIJRJUFGSA-N. The full InChI is InChI=1S/C24H26N8O6S/c1-13(25)23(34)38-12-31-22(33)19(29-24(31)35)9-15-11-26-32-20(27-16-6-7-16)10-18(28-21(15)32)14-4-3-5-17(8-14)30-39(2,36)37/h3-5,8-11,13,16,30,33H,6-7,12,25H2,1-2H3,(H,29,35)/b15-9?,27-20+/t13-/m0/s1.
What are the key properties of [5-[[7-cyclopropylimino-5-[3-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl (2S)-2-aminopropanoate?
[5-[[7-cyclopropylimino-5-[3-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl (2S)-2-aminopropanoate has a molecular weight of 554.59 g/mol, XLogP of -0.58, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[7-cyclopropylimino-5-[3-(methanesulfonamido)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl (2S)-2-aminopropanoate is sourced from PubChem (CID 173491874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).