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

C20H19N7O3S — CID 137019898

IUPAC5-[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
SMILESCN(C)C(=O)c1ccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)s1
InChIInChI=1S/C20H19N7O3S/c1-26(2)19(29)15-6-5-14(31-15)12-8-16(22-11-3-4-11)27-17(23-12)10(9-21-27)7-13-18(28)25-20(30)24-13/h5-9,11,28H,3-4H2,1-2H3,(H2,24,25,30)/b10-7?,22-16+
InChIKeyOFJBKWVMIKOKTR-IMLXJWOXSA-N
MW437.49 g/mol
LogP0.49
Rot. Bonds4

About 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

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 (PubChem CID 137019898) has the molecular formula C20H19N7O3S and a molecular weight of 437.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID137019898
Molecular FormulaC20H19N7O3S
Molecular Weight437.49 g/mol
Exact Mass437.13
IUPAC Name5-[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
SMILESCN(C)C(=O)c1ccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)s1
InChIInChI=1S/C20H19N7O3S/c1-26(2)19(29)15-6-5-14(31-15)12-8-16(22-11-3-4-11)27-17(23-12)10(9-21-27)7-13-18(28)25-20(30)24-13/h5-9,11,28H,3-4H2,1-2H3,(H2,24,25,30)/b10-7?,22-16+
InChIKeyOFJBKWVMIKOKTR-IMLXJWOXSA-N
XLogP0.49
TPSA131.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)C(=O)c1ccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)s1.
What is the InChIKey of 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?
The InChIKey is OFJBKWVMIKOKTR-IMLXJWOXSA-N. The full InChI is InChI=1S/C20H19N7O3S/c1-26(2)19(29)15-6-5-14(31-15)12-8-16(22-11-3-4-11)27-17(23-12)10(9-21-27)7-13-18(28)25-20(30)24-13/h5-9,11,28H,3-4H2,1-2H3,(H2,24,25,30)/b10-7?,22-16+.
What are the key properties of 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?
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 has a molecular weight of 437.49 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137019898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).