4-[(E)-[4-cyclopropylimino-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C19H19N9O2 — CID 137289942

About 4-[(E)-[4-cyclopropylimino-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[(E)-[4-cyclopropylimino-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137289942) has the molecular formula C19H19N9O2 and a molecular weight of 405.42 g/mol. Its IUPAC name is 4-[(E)-[4-cyclopropylimino-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

• Compound Name: 4-[(E)-[4-cyclopropylimino-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• PubChem CID: 137289942
• Molecular Formula: C19H19N9O2
• Molecular Weight: 405.42 g/mol
• Exact Mass: 405.17
• IUPAC Name: 4-[(E)-[4-cyclopropylimino-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• SMILES: C[C@H](Nc1n/c(=N\C2CC2)n2nc/c(=C\c3[nH]c(=O)[nH]c3O)c2n1)c1ccccn1
• InChI: InChI=1S/C19H19N9O2/c1-10(13-4-2-3-7-20-13)22-17-25-15-11(8-14-16(29)26-19(30)24-14)9-21-28(15)18(27-17)23-12-5-6-12/h2-4,7-10,12,29H,5-6H2,1H3,(H,22,23,27)(H2,24,26,30)/b11-8+/t10-/m0/s1
• InChIKey: WFWUWHBXQLFERW-NGPGYTDTSA-N
• XLogP: 0.03
• TPSA: 149.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.42
LogP ≤ 5	0.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[4-cyclopropylimino-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The IUPAC name of 4-[(E)-[4-cyclopropylimino-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137289942) is 4-[(E)-[4-cyclopropylimino-2-[[(1S)-1-pyridin-2-ylethyl]amino]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-[(E)-[4-cyclopropylimino-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The canonical SMILES for 4-[(E)-[4-cyclopropylimino-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is C[C@H](Nc1n/c(=N\C2CC2)n2nc/c(=C\c3[nH]c(=O)[nH]c3O)c2n1)c1ccccn1.

What is the InChIKey of 4-[(E)-[4-cyclopropylimino-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The InChIKey is WFWUWHBXQLFERW-NGPGYTDTSA-N. The full InChI is InChI=1S/C19H19N9O2/c1-10(13-4-2-3-7-20-13)22-17-25-15-11(8-14-16(29)26-19(30)24-14)9-21-28(15)18(27-17)23-12-5-6-12/h2-4,7-10,12,29H,5-6H2,1H3,(H,22,23,27)(H2,24,26,30)/b11-8+/t10-/m0/s1.

What are the key properties of 4-[(E)-[4-cyclopropylimino-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

4-[(E)-[4-cyclopropylimino-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 405.42 g/mol, XLogP of 0.03, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-[4-cyclopropylimino-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137289942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).