2-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)-2,3-dihydrothiophene-5-carboxamide

C25H24N8O3S — CID 137081354

IUPAC2-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)-2,3-dihydrothiophene-5-carboxamide
SMILESO=C(NCCc1ccccn1)C1=CCC(c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)S1
InChIInChI=1S/C25H24N8O3S/c34-23-18(31-25(36)32-23)11-14-13-28-33-21(29-16-4-5-16)12-17(30-22(14)33)19-6-7-20(37-19)24(35)27-10-8-15-3-1-2-9-26-15/h1-3,7,9,11-13,16,19,34H,4-6,8,10H2,(H,27,35)(H2,31,32,36)/b14-11?,29-21+
InChIKeyVDKMYZPKARHWBY-GYJFLYELSA-N
MW516.59 g/mol
LogP0.88
Rot. Bonds7

About 2-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)-2,3-dihydrothiophene-5-carboxamide

2-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)-2,3-dihydrothiophene-5-carboxamide (PubChem CID 137081354) has the molecular formula C25H24N8O3S and a molecular weight of 516.59 g/mol. Its IUPAC name is 2-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)-2,3-dihydrothiophene-5-carboxamide.

Molecular Properties

Compound Name2-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)-2,3-dihydrothiophene-5-carboxamide
PubChem CID137081354
Molecular FormulaC25H24N8O3S
Molecular Weight516.59 g/mol
Exact Mass516.17
IUPAC Name2-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)-2,3-dihydrothiophene-5-carboxamide
SMILESO=C(NCCc1ccccn1)C1=CCC(c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)S1
InChIInChI=1S/C25H24N8O3S/c34-23-18(31-25(36)32-23)11-14-13-28-33-21(29-16-4-5-16)12-17(30-22(14)33)19-6-7-20(37-19)24(35)27-10-8-15-3-1-2-9-26-15/h1-3,7,9,11-13,16,19,34H,4-6,8,10H2,(H,27,35)(H2,31,32,36)/b14-11?,29-21+
InChIKeyVDKMYZPKARHWBY-GYJFLYELSA-N
XLogP0.88
TPSA153.42 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.59
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)-2,3-dihydrothiophene-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-piperidin-2-ylethyl)thiophene-2-carboxamide
CID 137156223
4-[[4-cyclopropylimino-2-(1-pyridin-2-ylpropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 163621874
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
N-[4-[[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]-1-methylcyclopropane-1-carboxamide
CID 137316483
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-[[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluoro-N-piperidin-3-ylbenzamide
CID 137292375
7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 137161186
4-[(E)-[4-cyclopropylimino-2-[(3-fluoro-2-pyridinyl)methoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137283327
4-[[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbenzonitrile
CID 137128601
4-[[4-cyclopropylimino-2-[2-[hydroxy(methylamino)methyl]phenyl]sulfanylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137158374
6-[[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]oxymethyl]-1H-pyridin-2-one;methane
CID 160611432
4-[[4-cyclopropylimino-2-[3-(pyrrolidin-1-ylmethyl)anilino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 163765153

Frequently Asked Questions

What is the IUPAC name of 2-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)-2,3-dihydrothiophene-5-carboxamide?
The IUPAC name of 2-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)-2,3-dihydrothiophene-5-carboxamide (CID 137081354) is 2-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)-2,3-dihydrothiophene-5-carboxamide.
What is the SMILES notation for 2-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)-2,3-dihydrothiophene-5-carboxamide?
The canonical SMILES for 2-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)-2,3-dihydrothiophene-5-carboxamide is O=C(NCCc1ccccn1)C1=CCC(c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)S1.
What is the InChIKey of 2-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)-2,3-dihydrothiophene-5-carboxamide?
The InChIKey is VDKMYZPKARHWBY-GYJFLYELSA-N. The full InChI is InChI=1S/C25H24N8O3S/c34-23-18(31-25(36)32-23)11-14-13-28-33-21(29-16-4-5-16)12-17(30-22(14)33)19-6-7-20(37-19)24(35)27-10-8-15-3-1-2-9-26-15/h1-3,7,9,11-13,16,19,34H,4-6,8,10H2,(H,27,35)(H2,31,32,36)/b14-11?,29-21+.
What are the key properties of 2-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)-2,3-dihydrothiophene-5-carboxamide?
2-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)-2,3-dihydrothiophene-5-carboxamide has a molecular weight of 516.59 g/mol, XLogP of 0.88, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)-2,3-dihydrothiophene-5-carboxamide is sourced from PubChem (CID 137081354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).