5-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

C23H23N7O4S — CID 137317535

IUPAC5-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(-c2c/c(=N\C3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)s1
InChIInChI=1S/C23H23N7O4S/c31-21-16(28-23(33)29-21)8-12-10-25-30-19(26-13-3-4-13)9-15(27-20(12)30)17-5-6-18(35-17)22(32)24-11-14-2-1-7-34-14/h5-6,8-10,13-14,31H,1-4,7,11H2,(H,24,32)(H2,28,29,33)/b12-8+,26-19+
InChIKeyOBOBVNZZNFEPEQ-VTSKAGECSA-N
MW493.55 g/mol
LogP0.70
Rot. Bonds6

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

5-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 137317535) has the molecular formula C23H23N7O4S and a molecular weight of 493.55 g/mol. Its IUPAC name is 5-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID137317535
Molecular FormulaC23H23N7O4S
Molecular Weight493.55 g/mol
Exact Mass493.15
IUPAC Name5-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(-c2c/c(=N\C3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)s1
InChIInChI=1S/C23H23N7O4S/c31-21-16(28-23(33)29-21)8-12-10-25-30-19(26-13-3-4-13)9-15(27-20(12)30)17-5-6-18(35-17)22(32)24-11-14-2-1-7-34-14/h5-6,8-10,13-14,31H,1-4,7,11H2,(H,24,32)(H2,28,29,33)/b12-8+,26-19+
InChIKeyOBOBVNZZNFEPEQ-VTSKAGECSA-N
XLogP0.70
TPSA149.76 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

4-[(E)-[7-cyclopropylimino-5-[5-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137304483
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
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
4-[[7-cyclopropylimino-5-[5-(piperidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137047567
4-[(E)-[7-cyclopropylimino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137283373
4-[[7-cyclopropylimino-5-[(4-hydroxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 159233578
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
4-[(E)-[7-cyclopropylimino-5-[(3,5-dimethylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137303236
4-[(E)-[7-cyclopropylimino-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137317284
4-[[7-cyclopropylimino-5-[[2-(1H-pyrazol-4-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 173491892
4-[[[(8E)-4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]methyl]-N,N-dimethylbenzamide
CID 137303089
4-[(5-chloro-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 158317507

Frequently Asked Questions

What is the IUPAC name of 5-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide (CID 137317535) is 5-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide is O=C(NCC1CCCO1)c1ccc(-c2c/c(=N\C3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)s1.
What is the InChIKey of 5-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is OBOBVNZZNFEPEQ-VTSKAGECSA-N. The full InChI is InChI=1S/C23H23N7O4S/c31-21-16(28-23(33)29-21)8-12-10-25-30-19(26-13-3-4-13)9-15(27-20(12)30)17-5-6-18(35-17)22(32)24-11-14-2-1-7-34-14/h5-6,8-10,13-14,31H,1-4,7,11H2,(H,24,32)(H2,28,29,33)/b12-8+,26-19+.
What are the key properties of 5-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
5-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 493.55 g/mol, XLogP of 0.70, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 137317535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).