4-[[4-cyclopropylimino-2-[(6-methoxy-2-pyridinyl)methoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C19H18N8O4 — CID 137153514

IUPAC4-[[4-cyclopropylimino-2-[(6-methoxy-2-pyridinyl)methoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCOc1cccc(COc2n/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)n1
InChIInChI=1S/C19H18N8O4/c1-30-14-4-2-3-12(21-14)9-31-19-24-15-10(7-13-16(28)25-18(29)23-13)8-20-27(15)17(26-19)22-11-5-6-11/h2-4,7-8,11,28H,5-6,9H2,1H3,(H2,23,25,29)/b10-7?,22-17+
InChIKeyRMEVTWIXXQTVAT-AWRXPSOUSA-N
MW422.41 g/mol
LogP-0.56
Rot. Bonds6

About 4-[[4-cyclopropylimino-2-[(6-methoxy-2-pyridinyl)methoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[[4-cyclopropylimino-2-[(6-methoxy-2-pyridinyl)methoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137153514) has the molecular formula C19H18N8O4 and a molecular weight of 422.41 g/mol. Its IUPAC name is 4-[[4-cyclopropylimino-2-[(6-methoxy-2-pyridinyl)methoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[[4-cyclopropylimino-2-[(6-methoxy-2-pyridinyl)methoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID137153514
Molecular FormulaC19H18N8O4
Molecular Weight422.41 g/mol
Exact Mass422.15
IUPAC Name4-[[4-cyclopropylimino-2-[(6-methoxy-2-pyridinyl)methoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCOc1cccc(COc2n/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)n1
InChIInChI=1S/C19H18N8O4/c1-30-14-4-2-3-12(21-14)9-31-19-24-15-10(7-13-16(28)25-18(29)23-13)8-20-27(15)17(26-19)22-11-5-6-11/h2-4,7-8,11,28H,5-6,9H2,1H3,(H2,23,25,29)/b10-7?,22-17+
InChIKeyRMEVTWIXXQTVAT-AWRXPSOUSA-N
XLogP-0.56
TPSA155.67 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-[[4-cyclopropylimino-2-[(6-methoxy-2-pyridinyl)methoxy]pyrazolo[1,5-a][1,3,5]triazin-8-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-[[4-cyclopropylimino-2-[(6-methoxy-2-pyridinyl)methoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[[4-cyclopropylimino-2-[(6-methoxy-2-pyridinyl)methoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137153514) is 4-[[4-cyclopropylimino-2-[(6-methoxy-2-pyridinyl)methoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[[4-cyclopropylimino-2-[(6-methoxy-2-pyridinyl)methoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[[4-cyclopropylimino-2-[(6-methoxy-2-pyridinyl)methoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is COc1cccc(COc2n/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)n1.
What is the InChIKey of 4-[[4-cyclopropylimino-2-[(6-methoxy-2-pyridinyl)methoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is RMEVTWIXXQTVAT-AWRXPSOUSA-N. The full InChI is InChI=1S/C19H18N8O4/c1-30-14-4-2-3-12(21-14)9-31-19-24-15-10(7-13-16(28)25-18(29)23-13)8-20-27(15)17(26-19)22-11-5-6-11/h2-4,7-8,11,28H,5-6,9H2,1H3,(H2,23,25,29)/b10-7?,22-17+.
What are the key properties of 4-[[4-cyclopropylimino-2-[(6-methoxy-2-pyridinyl)methoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[[4-cyclopropylimino-2-[(6-methoxy-2-pyridinyl)methoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 422.41 g/mol, XLogP of -0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-cyclopropylimino-2-[(6-methoxy-2-pyridinyl)methoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137153514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).