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

C21H23N7O4S — CID 173493106

IUPAC2-[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
SMILESCC(O)CNC(=O)C1=CCC(c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)S1
InChIInChI=1S/C21H23N7O4S/c1-10(29)8-22-20(31)16-5-4-15(33-16)13-7-17(24-12-2-3-12)28-18(25-13)11(9-23-28)6-14-19(30)27-21(32)26-14/h5-7,9-10,12,15,29-30H,2-4,8H2,1H3,(H,22,31)(H2,26,27,32)/b11-6?,24-17+
InChIKeyDBEBHXYVJQASRB-JXJBQICQSA-N
MW469.53 g/mol
LogP-0.38
Rot. Bonds6

About 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

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 (PubChem CID 173493106) has the molecular formula C21H23N7O4S and a molecular weight of 469.53 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-hydroxypropyl)-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-hydroxypropyl)-2,3-dihydrothiophene-5-carboxamide
PubChem CID173493106
Molecular FormulaC21H23N7O4S
Molecular Weight469.53 g/mol
Exact Mass469.15
IUPAC Name2-[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
SMILESCC(O)CNC(=O)C1=CCC(c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)S1
InChIInChI=1S/C21H23N7O4S/c1-10(29)8-22-20(31)16-5-4-15(33-16)13-7-17(24-12-2-3-12)28-18(25-13)11(9-23-28)6-14-19(30)27-21(32)26-14/h5-7,9-10,12,15,29-30H,2-4,8H2,1H3,(H,22,31)(H2,26,27,32)/b11-6?,24-17+
InChIKeyDBEBHXYVJQASRB-JXJBQICQSA-N
XLogP-0.38
TPSA160.76 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.53
LogP ≤ 5-0.38
H-Bond Donors ≤ 55
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-hydroxypropyl)-2,3-dihydrothiophene-5-carboxamide with MolForge

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Related Compounds

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
4-[[5-[5-[1-(cyclopentylamino)propan-2-yl]thiophen-3-yl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137094762
5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylthiophene-2-carboxamide
CID 137019898
5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 137092804
4-[(E)-[7-cyclopropylimino-5-(5-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137314421
4-[[7-cyclopropylimino-5-(1-methylazepan-4-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 173471420
5-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
CID 137289908
4-[(E)-[7-cyclopropylimino-5-[1-(3,5-difluorophenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137283338
N-cyclobutyl-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 137317600
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
4-[(E)-[7-cyclopropylimino-5-[(3-propan-2-yloxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137314355
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

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-hydroxypropyl)-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-hydroxypropyl)-2,3-dihydrothiophene-5-carboxamide (CID 173493106) is 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.
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-hydroxypropyl)-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-hydroxypropyl)-2,3-dihydrothiophene-5-carboxamide is CC(O)CNC(=O)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-hydroxypropyl)-2,3-dihydrothiophene-5-carboxamide?
The InChIKey is DBEBHXYVJQASRB-JXJBQICQSA-N. The full InChI is InChI=1S/C21H23N7O4S/c1-10(29)8-22-20(31)16-5-4-15(33-16)13-7-17(24-12-2-3-12)28-18(25-13)11(9-23-28)6-14-19(30)27-21(32)26-14/h5-7,9-10,12,15,29-30H,2-4,8H2,1H3,(H,22,31)(H2,26,27,32)/b11-6?,24-17+.
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-hydroxypropyl)-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-hydroxypropyl)-2,3-dihydrothiophene-5-carboxamide has a molecular weight of 469.53 g/mol, XLogP of -0.38, 6 rotatable bonds, 5 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-hydroxypropyl)-2,3-dihydrothiophene-5-carboxamide is sourced from PubChem (CID 173493106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).