4-[(E)-[7-cyclopropylimino-5-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C19H23N7O3 — CID 137314414

IUPAC4-[(E)-[7-cyclopropylimino-5-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCN(c1c/c(=N\C2CC2)n2nc/c(=C\c3[nH]c(=O)[nH]c3O)c2n1)C1CCOCC1
InChIInChI=1S/C19H23N7O3/c1-25(13-4-6-29-7-5-13)15-9-16(21-12-2-3-12)26-17(23-15)11(10-20-26)8-14-18(27)24-19(28)22-14/h8-10,12-13,27H,2-7H2,1H3,(H2,22,24,28)/b11-8+,21-16+
InChIKeyXJQGTWQBQHEVQL-MPYFSMFHSA-N
MW397.44 g/mol
LogP-0.32
Rot. Bonds4

About 4-[(E)-[7-cyclopropylimino-5-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[(E)-[7-cyclopropylimino-5-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137314414) has the molecular formula C19H23N7O3 and a molecular weight of 397.44 g/mol. Its IUPAC name is 4-[(E)-[7-cyclopropylimino-5-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[(E)-[7-cyclopropylimino-5-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID137314414
Molecular FormulaC19H23N7O3
Molecular Weight397.44 g/mol
Exact Mass397.19
IUPAC Name4-[(E)-[7-cyclopropylimino-5-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCN(c1c/c(=N\C2CC2)n2nc/c(=C\c3[nH]c(=O)[nH]c3O)c2n1)C1CCOCC1
InChIInChI=1S/C19H23N7O3/c1-25(13-4-6-29-7-5-13)15-9-16(21-12-2-3-12)26-17(23-15)11(10-20-26)8-14-18(27)24-19(28)22-14/h8-10,12-13,27H,2-7H2,1H3,(H2,22,24,28)/b11-8+,21-16+
InChIKeyXJQGTWQBQHEVQL-MPYFSMFHSA-N
XLogP-0.32
TPSA123.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[(E)-[7-cyclopropylimino-5-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[7-cyclopropylimino-5-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[(E)-[7-cyclopropylimino-5-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137314414) is 4-[(E)-[7-cyclopropylimino-5-[methyl(oxan-4-yl)amino]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-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[(E)-[7-cyclopropylimino-5-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is CN(c1c/c(=N\C2CC2)n2nc/c(=C\c3[nH]c(=O)[nH]c3O)c2n1)C1CCOCC1.
What is the InChIKey of 4-[(E)-[7-cyclopropylimino-5-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is XJQGTWQBQHEVQL-MPYFSMFHSA-N. The full InChI is InChI=1S/C19H23N7O3/c1-25(13-4-6-29-7-5-13)15-9-16(21-12-2-3-12)26-17(23-15)11(10-20-26)8-14-18(27)24-19(28)22-14/h8-10,12-13,27H,2-7H2,1H3,(H2,22,24,28)/b11-8+,21-16+.
What are the key properties of 4-[(E)-[7-cyclopropylimino-5-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[(E)-[7-cyclopropylimino-5-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 397.44 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[7-cyclopropylimino-5-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137314414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).