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

C19H23N7O3 — CID 137037508

IUPAC4-[[7-(cyclopropylmethylimino)-5-[2-(hydroxymethyl)pyrrolidin-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(N4CCCC4CO)nc23)[nH]1
InChIInChI=1S/C19H23N7O3/c27-10-13-2-1-5-25(13)16-7-15(20-8-11-3-4-11)26-17(23-16)12(9-21-26)6-14-18(28)24-19(29)22-14/h6-7,9,11,13,27-28H,1-5,8,10H2,(H2,22,24,29)/b12-6?,20-15+
InChIKeyCKUBPXVBFJZJOZ-FKHBNXSESA-N
MW397.44 g/mol
LogP-0.73
Rot. Bonds5

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

4-[[7-(cyclopropylmethylimino)-5-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137037508) has the molecular formula C19H23N7O3 and a molecular weight of 397.44 g/mol. Its IUPAC name is 4-[[7-(cyclopropylmethylimino)-5-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[[7-(cyclopropylmethylimino)-5-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID137037508
Molecular FormulaC19H23N7O3
Molecular Weight397.44 g/mol
Exact Mass397.19
IUPAC Name4-[[7-(cyclopropylmethylimino)-5-[2-(hydroxymethyl)pyrrolidin-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(N4CCCC4CO)nc23)[nH]1
InChIInChI=1S/C19H23N7O3/c27-10-13-2-1-5-25(13)16-7-15(20-8-11-3-4-11)26-17(23-16)12(9-21-26)6-14-18(28)24-19(29)22-14/h6-7,9,11,13,27-28H,1-5,8,10H2,(H2,22,24,29)/b12-6?,20-15+
InChIKeyCKUBPXVBFJZJOZ-FKHBNXSESA-N
XLogP-0.73
TPSA134.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

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
tert-butyl 2-[[[5-(3-chloroanilino)-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-7-ylidene]amino]methyl]pyrrolidine-1-carboxylate
CID 137021756
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
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-[[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-[(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-[[7-cyclopropylimino-5-[(4-hydroxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 159233578
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-[(E)-[7-cyclopropylimino-5-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137314414
4-[[5-[(3-amino-4-methylcyclohexa-1,5-dien-1-yl)methyl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 173493184

Frequently Asked Questions

What is the IUPAC name of 4-[[7-(cyclopropylmethylimino)-5-[2-(hydroxymethyl)pyrrolidin-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-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137037508) is 4-[[7-(cyclopropylmethylimino)-5-[2-(hydroxymethyl)pyrrolidin-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-[2-(hydroxymethyl)pyrrolidin-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-[2-(hydroxymethyl)pyrrolidin-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(N4CCCC4CO)nc23)[nH]1.
What is the InChIKey of 4-[[7-(cyclopropylmethylimino)-5-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is CKUBPXVBFJZJOZ-FKHBNXSESA-N. The full InChI is InChI=1S/C19H23N7O3/c27-10-13-2-1-5-25(13)16-7-15(20-8-11-3-4-11)26-17(23-16)12(9-21-26)6-14-18(28)24-19(29)22-14/h6-7,9,11,13,27-28H,1-5,8,10H2,(H2,22,24,29)/b12-6?,20-15+.
What are the key properties of 4-[[7-(cyclopropylmethylimino)-5-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[[7-(cyclopropylmethylimino)-5-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 397.44 g/mol, XLogP of -0.73, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(cyclopropylmethylimino)-5-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137037508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).