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

C23H21N9O2 — CID 173491892

About 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

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 (PubChem CID 173491892) has the molecular formula C23H21N9O2 and a molecular weight of 455.48 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 173491892
• Molecular Formula: C23H21N9O2
• Molecular Weight: 455.48 g/mol
• Exact Mass: 455.18
• IUPAC Name: 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
• SMILES: O=c1[nH]c(O)c(C=c2cnn3/c(=N/C4CC4)cc(NCc4ccccc4-c4cn[nH]c4)nc23)[nH]1
• InChI: InChI=1S/C23H21N9O2/c33-22-18(29-23(34)31-22)7-14-12-27-32-20(28-16-5-6-16)8-19(30-21(14)32)24-9-13-3-1-2-4-17(13)15-10-25-26-11-15/h1-4,7-8,10-12,16,24,33H,5-6,9H2,(H,25,26)(H2,29,31,34)/b14-7?,28-20+
• InChIKey: JRDJMGNXRYWQKB-SHSSWCNDSA-N
• XLogP: 1.06
• TPSA: 152.14 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.48
LogP ≤ 5	1.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is O=c1[nH]c(O)c(C=c2cnn3/c(=N/C4CC4)cc(NCc4ccccc4-c4cn[nH]c4)nc23)[nH]1.

What is the InChIKey of 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?

The InChIKey is JRDJMGNXRYWQKB-SHSSWCNDSA-N. The full InChI is InChI=1S/C23H21N9O2/c33-22-18(29-23(34)31-22)7-14-12-27-32-20(28-16-5-6-16)8-19(30-21(14)32)24-9-13-3-1-2-4-17(13)15-10-25-26-11-15/h1-4,7-8,10-12,16,24,33H,5-6,9H2,(H,25,26)(H2,29,31,34)/b14-7?,28-20+.

What are the key properties of 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?

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 has a molecular weight of 455.48 g/mol, XLogP of 1.06, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 173491892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).