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

C22H22N8O3S — CID 137073078

IUPAC5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-pyrrolidin-3-ylthiophene-2-carboxamide
SMILESO=C(NC1CCNC1)c1ccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)s1
InChIInChI=1S/C22H22N8O3S/c31-20-15(28-22(33)29-20)7-11-9-24-30-18(25-12-1-2-12)8-14(27-19(11)30)16-3-4-17(34-16)21(32)26-13-5-6-23-10-13/h3-4,7-9,12-13,23,31H,1-2,5-6,10H2,(H,26,32)(H2,28,29,33)/b11-7?,25-18+
InChIKeyJYQIQAMABPFBLA-HAIBIRTLSA-N
MW478.54 g/mol
LogP-0.12
Rot. Bonds5

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

5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-pyrrolidin-3-ylthiophene-2-carboxamide (PubChem CID 137073078) has the molecular formula C22H22N8O3S and a molecular weight of 478.54 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-pyrrolidin-3-ylthiophene-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-pyrrolidin-3-ylthiophene-2-carboxamide
PubChem CID137073078
Molecular FormulaC22H22N8O3S
Molecular Weight478.54 g/mol
Exact Mass478.15
IUPAC Name5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-pyrrolidin-3-ylthiophene-2-carboxamide
SMILESO=C(NC1CCNC1)c1ccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)s1
InChIInChI=1S/C22H22N8O3S/c31-20-15(28-22(33)29-20)7-11-9-24-30-18(25-12-1-2-12)8-14(27-19(11)30)16-3-4-17(34-16)21(32)26-13-5-6-23-10-13/h3-4,7-9,12-13,23,31H,1-2,5-6,10H2,(H,26,32)(H2,28,29,33)/b11-7?,25-18+
InChIKeyJYQIQAMABPFBLA-HAIBIRTLSA-N
XLogP-0.12
TPSA152.56 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.54
LogP ≤ 5-0.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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

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

Launch Full Analysis

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-pyrrolidin-3-ylthiophene-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-pyrrolidin-3-ylthiophene-2-carboxamide (CID 137073078) is 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-pyrrolidin-3-ylthiophene-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-pyrrolidin-3-ylthiophene-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-pyrrolidin-3-ylthiophene-2-carboxamide is O=C(NC1CCNC1)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-pyrrolidin-3-ylthiophene-2-carboxamide?
The InChIKey is JYQIQAMABPFBLA-HAIBIRTLSA-N. The full InChI is InChI=1S/C22H22N8O3S/c31-20-15(28-22(33)29-20)7-11-9-24-30-18(25-12-1-2-12)8-14(27-19(11)30)16-3-4-17(34-16)21(32)26-13-5-6-23-10-13/h3-4,7-9,12-13,23,31H,1-2,5-6,10H2,(H,26,32)(H2,28,29,33)/b11-7?,25-18+.
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-pyrrolidin-3-ylthiophene-2-carboxamide?
5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-pyrrolidin-3-ylthiophene-2-carboxamide has a molecular weight of 478.54 g/mol, XLogP of -0.12, 5 rotatable bonds, 5 hydrogen bond donors, and 9 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-pyrrolidin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 137073078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).