4-[[2-[4-(1-aminocyclobutyl)-2-methylanilino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C23H25N9O2 — CID 173471409

IUPAC4-[[2-[4-(1-aminocyclobutyl)-2-methylanilino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCc1cc(C2(N)CCC2)ccc1Nc1n/c(=N\C2CC2)n2ncc(=Cc3[nH]c(=O)[nH]c3O)c2n1
InChIInChI=1S/C23H25N9O2/c1-12-9-14(23(24)7-2-8-23)3-6-16(12)27-20-29-18-13(10-17-19(33)30-22(34)28-17)11-25-32(18)21(31-20)26-15-4-5-15/h3,6,9-11,15,33H,2,4-5,7-8,24H2,1H3,(H,26,27,31)(H2,28,30,34)
InChIKeyNHWDPZHQNLIWFY-UHFFFAOYSA-N
MW459.51 g/mol
LogP0.85
Rot. Bonds5

About 4-[[2-[4-(1-aminocyclobutyl)-2-methylanilino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[[2-[4-(1-aminocyclobutyl)-2-methylanilino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 173471409) has the molecular formula C23H25N9O2 and a molecular weight of 459.51 g/mol. Its IUPAC name is 4-[[2-[4-(1-aminocyclobutyl)-2-methylanilino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[[2-[4-(1-aminocyclobutyl)-2-methylanilino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID173471409
Molecular FormulaC23H25N9O2
Molecular Weight459.51 g/mol
Exact Mass459.21
IUPAC Name4-[[2-[4-(1-aminocyclobutyl)-2-methylanilino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCc1cc(C2(N)CCC2)ccc1Nc1n/c(=N\C2CC2)n2ncc(=Cc3[nH]c(=O)[nH]c3O)c2n1
InChIInChI=1S/C23H25N9O2/c1-12-9-14(23(24)7-2-8-23)3-6-16(12)27-20-29-18-13(10-17-19(33)30-22(34)28-17)11-25-32(18)21(31-20)26-15-4-5-15/h3,6,9-11,15,33H,2,4-5,7-8,24H2,1H3,(H,26,27,31)(H2,28,30,34)
InChIKeyNHWDPZHQNLIWFY-UHFFFAOYSA-N
XLogP0.85
TPSA162.37 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 50.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

4-[[4-cyclopropylimino-2-(3-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 173493147
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-[[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexane-1-carboxamide
CID 137078420
4-[[2-[(4-bromophenyl)methylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 154045387
4-[[2-[3-chloro-4-(1-hydroxyethyl)anilino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 173493173
4-[(E)-[4-cyclopropylimino-2-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137283352
4-[(E)-[4-cyclopropylimino-2-[2-(2,2,2-trifluoroethyl)hydrazinyl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137303060
N-[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]cyclohexyl]propanamide
CID 137316448
4-[[4-cyclopropylimino-2-[3-(pyrrolidin-1-ylmethyl)anilino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 163765153
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-[[4-cyclopropylimino-2-[(2,4-difluorophenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 163827031
4-[(E)-[2-[(3-chloro-4-fluorophenyl)methylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 136602840

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(1-aminocyclobutyl)-2-methylanilino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[[2-[4-(1-aminocyclobutyl)-2-methylanilino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 173471409) is 4-[[2-[4-(1-aminocyclobutyl)-2-methylanilino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[[2-[4-(1-aminocyclobutyl)-2-methylanilino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[[2-[4-(1-aminocyclobutyl)-2-methylanilino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is Cc1cc(C2(N)CCC2)ccc1Nc1n/c(=N\C2CC2)n2ncc(=Cc3[nH]c(=O)[nH]c3O)c2n1.
What is the InChIKey of 4-[[2-[4-(1-aminocyclobutyl)-2-methylanilino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is NHWDPZHQNLIWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9O2/c1-12-9-14(23(24)7-2-8-23)3-6-16(12)27-20-29-18-13(10-17-19(33)30-22(34)28-17)11-25-32(18)21(31-20)26-15-4-5-15/h3,6,9-11,15,33H,2,4-5,7-8,24H2,1H3,(H,26,27,31)(H2,28,30,34).
What are the key properties of 4-[[2-[4-(1-aminocyclobutyl)-2-methylanilino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[[2-[4-(1-aminocyclobutyl)-2-methylanilino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 459.51 g/mol, XLogP of 0.85, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(1-aminocyclobutyl)-2-methylanilino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 173471409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).