4-[[7-(cyclopropylmethylimino)-5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C18H20FN7O2 — CID 137047863

IUPAC4-[[7-(cyclopropylmethylimino)-5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(C=c2cnn3/c(=N/CC4CC4)cc(N4CCC(F)C4)nc23)[nH]1
InChIInChI=1S/C18H20FN7O2/c19-12-3-4-25(9-12)15-6-14(20-7-10-1-2-10)26-16(23-15)11(8-21-26)5-13-17(27)24-18(28)22-13/h5-6,8,10,12,27H,1-4,7,9H2,(H2,22,24,28)/b11-5?,20-14+
InChIKeyLECQLFJXGLNFPB-AGKFEGQBSA-N
MW385.40 g/mol
LogP-0.14
Rot. Bonds4

About 4-[[7-(cyclopropylmethylimino)-5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[[7-(cyclopropylmethylimino)-5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137047863) has the molecular formula C18H20FN7O2 and a molecular weight of 385.40 g/mol. Its IUPAC name is 4-[[7-(cyclopropylmethylimino)-5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[[7-(cyclopropylmethylimino)-5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID137047863
Molecular FormulaC18H20FN7O2
Molecular Weight385.40 g/mol
Exact Mass385.17
IUPAC Name4-[[7-(cyclopropylmethylimino)-5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(C=c2cnn3/c(=N/CC4CC4)cc(N4CCC(F)C4)nc23)[nH]1
InChIInChI=1S/C18H20FN7O2/c19-12-3-4-25(9-12)15-6-14(20-7-10-1-2-10)26-16(23-15)11(8-21-26)5-13-17(27)24-18(28)22-13/h5-6,8,10,12,27H,1-4,7,9H2,(H2,22,24,28)/b11-5?,20-14+
InChIKeyLECQLFJXGLNFPB-AGKFEGQBSA-N
XLogP-0.14
TPSA114.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[7-(cyclopropylmethylimino)-5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[7-(cyclopropylmethylimino)-5-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137037508
4-[[7-cyclopropylimino-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 173471423
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-[(E)-[7-cyclopropylimino-5-(5-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137314421
4-[(E)-[7-cyclopropylimino-5-[(3,5-dimethylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137303236
4-[[7-cyclopropylimino-5-[(4-hydroxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 159233578
4-[[7-cyclohexylimino-5-(5-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137152119
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-methylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137052426
4-[(E)-[7-cyclopropylimino-5-(2-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137304386
4-[[7-cyclopropylimino-5-(1-methylazepan-4-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 173471420
N-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-2,4-difluorobenzamide
CID 137289896

Frequently Asked Questions

What is the IUPAC name of 4-[[7-(cyclopropylmethylimino)-5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[[7-(cyclopropylmethylimino)-5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137047863) is 4-[[7-(cyclopropylmethylimino)-5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[[7-(cyclopropylmethylimino)-5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[[7-(cyclopropylmethylimino)-5-(3-fluoropyrrolidin-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/CC4CC4)cc(N4CCC(F)C4)nc23)[nH]1.
What is the InChIKey of 4-[[7-(cyclopropylmethylimino)-5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is LECQLFJXGLNFPB-AGKFEGQBSA-N. The full InChI is InChI=1S/C18H20FN7O2/c19-12-3-4-25(9-12)15-6-14(20-7-10-1-2-10)26-16(23-15)11(8-21-26)5-13-17(27)24-18(28)22-13/h5-6,8,10,12,27H,1-4,7,9H2,(H2,22,24,28)/b11-5?,20-14+.
What are the key properties of 4-[[7-(cyclopropylmethylimino)-5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[[7-(cyclopropylmethylimino)-5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 385.40 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(cyclopropylmethylimino)-5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137047863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).