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

C22H23N7O3S — CID 137283373

IUPAC4-[(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
SMILESO=c1[nH]c(O)c(/C=c2\cnn3/c(=N/C4CC4)cc(-c4ccc(CN5CCOCC5)s4)nc23)[nH]1
InChIInChI=1S/C22H23N7O3S/c30-21-17(26-22(31)27-21)9-13-11-23-29-19(24-14-1-2-14)10-16(25-20(13)29)18-4-3-15(33-18)12-28-5-7-32-8-6-28/h3-4,9-11,14,30H,1-2,5-8,12H2,(H2,26,27,31)/b13-9+,24-19+
InChIKeyXIVTXYGSULGQKP-ARJOEZNPSA-N
MW465.54 g/mol
LogP0.62
Rot. Bonds5

About 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

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 (PubChem CID 137283373) has the molecular formula C22H23N7O3S and a molecular weight of 465.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[(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
PubChem CID137283373
Molecular FormulaC22H23N7O3S
Molecular Weight465.54 g/mol
Exact Mass465.16
IUPAC Name4-[(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
SMILESO=c1[nH]c(O)c(/C=c2\cnn3/c(=N/C4CC4)cc(-c4ccc(CN5CCOCC5)s4)nc23)[nH]1
InChIInChI=1S/C22H23N7O3S/c30-21-17(26-22(31)27-21)9-13-11-23-29-19(24-14-1-2-14)10-16(25-20(13)29)18-4-3-15(33-18)12-28-5-7-32-8-6-28/h3-4,9-11,14,30H,1-2,5-8,12H2,(H2,26,27,31)/b13-9+,24-19+
InChIKeyXIVTXYGSULGQKP-ARJOEZNPSA-N
XLogP0.62
TPSA123.90 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1[nH]c(O)c(/C=c2\cnn3/c(=N/C4CC4)cc(-c4ccc(CN5CCOCC5)s4)nc23)[nH]1.
What is the InChIKey of 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?
The InChIKey is XIVTXYGSULGQKP-ARJOEZNPSA-N. The full InChI is InChI=1S/C22H23N7O3S/c30-21-17(26-22(31)27-21)9-13-11-23-29-19(24-14-1-2-14)10-16(25-20(13)29)18-4-3-15(33-18)12-28-5-7-32-8-6-28/h3-4,9-11,14,30H,1-2,5-8,12H2,(H2,26,27,31)/b13-9+,24-19+.
What are the key properties of 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?
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 has a molecular weight of 465.54 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137283373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).