7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

C23H22N10O2 — CID 137161186

IUPAC7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1c(N2CCN(c3ccccn3)CC2)nc2c(=Cc3[nH]c(=O)[nH]c3O)cnn2/c1=N/C1CC1
InChIInChI=1S/C23H22N10O2/c24-12-16-20(32-9-7-31(8-10-32)18-3-1-2-6-25-18)29-19-14(11-17-22(34)30-23(35)28-17)13-26-33(19)21(16)27-15-4-5-15/h1-3,6,11,13,15,34H,4-5,7-10H2,(H2,28,30,35)/b14-11?,27-21+
InChIKeyXVUXGUHXPBRHHU-OXOYWCBVSA-N
MW470.50 g/mol
LogP-0.34
Rot. Bonds4

About 7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 137161186) has the molecular formula C23H22N10O2 and a molecular weight of 470.50 g/mol. Its IUPAC name is 7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID137161186
Molecular FormulaC23H22N10O2
Molecular Weight470.50 g/mol
Exact Mass470.19
IUPAC Name7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1c(N2CCN(c3ccccn3)CC2)nc2c(=Cc3[nH]c(=O)[nH]c3O)cnn2/c1=N/C1CC1
InChIInChI=1S/C23H22N10O2/c24-12-16-20(32-9-7-31(8-10-32)18-3-1-2-6-25-18)29-19-14(11-17-22(34)30-23(35)28-17)13-26-33(19)21(16)27-15-4-5-15/h1-3,6,11,13,15,34H,4-5,7-10H2,(H2,28,30,35)/b14-11?,27-21+
InChIKeyXVUXGUHXPBRHHU-OXOYWCBVSA-N
XLogP-0.34
TPSA154.59 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

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
4-[[4-cyclopropylimino-2-(1-pyridin-2-ylpropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 163621874
4-[(E)-[4-cyclopropylimino-2-[(3-fluoro-2-pyridinyl)methoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137283327
4-[[7-cyclopropylimino-5-[(4-hydroxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 159233578
2-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)-2,3-dihydrothiophene-5-carboxamide
CID 137081354
4-[(E)-[4-cyclopropylimino-2-[(2,3-dichlorophenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 136506946
N-[4-[[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]-1-methylcyclopropane-1-carboxamide
CID 137316483
4-[(E)-[7-cyclopropylimino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137283373
4-[[4-cyclopropylimino-2-(2-methylsulfonylethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 163810357
4-[[[(8E)-4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]methyl]-N,N-dimethylbenzamide
CID 137303089
4-[[4-cyclopropylimino-2-[[1-(imidazol-1-ylmethyl)cyclopropyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137099199
5-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methoxy-N-methylthiophene-2-carboxamide
CID 137317597

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 137161186) is 7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile is N#Cc1c(N2CCN(c3ccccn3)CC2)nc2c(=Cc3[nH]c(=O)[nH]c3O)cnn2/c1=N/C1CC1.
What is the InChIKey of 7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is XVUXGUHXPBRHHU-OXOYWCBVSA-N. The full InChI is InChI=1S/C23H22N10O2/c24-12-16-20(32-9-7-31(8-10-32)18-3-1-2-6-25-18)29-19-14(11-17-22(34)30-23(35)28-17)13-26-33(19)21(16)27-15-4-5-15/h1-3,6,11,13,15,34H,4-5,7-10H2,(H2,28,30,35)/b14-11?,27-21+.
What are the key properties of 7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 470.50 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 137161186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).