4-[(5-chloro-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C35H34ClN15O4 — CID 158317507

About 4-[(5-chloro-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[(5-chloro-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 158317507) has the molecular formula C35H34ClN15O4 and a molecular weight of 764.21 g/mol. Its IUPAC name is 4-[(5-chloro-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

• Compound Name: 4-[(5-chloro-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• PubChem CID: 158317507
• Molecular Formula: C35H34ClN15O4
• Molecular Weight: 764.21 g/mol
• Exact Mass: 763.26
• IUPAC Name: 4-[(5-chloro-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-(4-pyridin-2-ylpiperazin-1-yl)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(Cl)nc23)[nH]1.O=c1[nH]c(O)c(C=c2cnn3/c(=N/C4CC4)cc(N4CCN(c5ccccn5)CC4)nc23)[nH]1
• InChI: InChI=1S/C22H23N9O2.C13H11ClN6O2/c32-21-16(26-22(33)28-21)11-14-13-24-31-19(25-15-4-5-15)12-18(27-20(14)31)30-9-7-29(8-10-30)17-3-1-2-6-23-17;14-9-4-10(16-7-1-2-7)20-11(18-9)6(5-15-20)3-8-12(21)19-13(22)17-8/h1-3,6,11-13,15,32H,4-5,7-10H2,(H2,26,28,33);3-5,7,21H,1-2H2,(H2,17,19,22)/b14-11?,25-19+;6-3?,16-10+
• InChIKey: MEGFNPCMYHSBNK-KVNFEGIVSA-N
• XLogP: -0.50
• TPSA: 242.23 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	764.21
LogP ≤ 5	-0.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The IUPAC name of 4-[(5-chloro-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 158317507) is 4-[(5-chloro-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

What is the SMILES notation for 4-[(5-chloro-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The canonical SMILES for 4-[(5-chloro-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-(4-pyridin-2-ylpiperazin-1-yl)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(Cl)nc23)[nH]1.O=c1[nH]c(O)c(C=c2cnn3/c(=N/C4CC4)cc(N4CCN(c5ccccn5)CC4)nc23)[nH]1.

What is the InChIKey of 4-[(5-chloro-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The InChIKey is MEGFNPCMYHSBNK-KVNFEGIVSA-N. The full InChI is InChI=1S/C22H23N9O2.C13H11ClN6O2/c32-21-16(26-22(33)28-21)11-14-13-24-31-19(25-15-4-5-15)12-18(27-20(14)31)30-9-7-29(8-10-30)17-3-1-2-6-23-17;14-9-4-10(16-7-1-2-7)20-11(18-9)6(5-15-20)3-8-12(21)19-13(22)17-8/h1-3,6,11-13,15,32H,4-5,7-10H2,(H2,26,28,33);3-5,7,21H,1-2H2,(H2,17,19,22)/b14-11?,25-19+;6-3?,16-10+.

What are the key properties of 4-[(5-chloro-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

4-[(5-chloro-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 764.21 g/mol, XLogP of -0.50, 6 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-chloro-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 158317507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).