5-(indazol-5-ylidenemethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-1H-imidazol-4-ol

C22H23N7O — CID 174106389

IUPAC5-(indazol-5-ylidenemethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-1H-imidazol-4-ol
SMILESCN1CCN(c2ccc(Nc3nc(O)c(C=c4ccc5c(c4)C=NN=5)[nH]3)cc2)CC1
InChIInChI=1S/C22H23N7O/c1-28-8-10-29(11-9-28)18-5-3-17(4-6-18)24-22-25-20(21(30)26-22)13-15-2-7-19-16(12-15)14-23-27-19/h2-7,12-14,30H,8-11H2,1H3,(H2,24,25,26)
InChIKeyVIQHUUNYDHOIMP-UHFFFAOYSA-N
MW401.47 g/mol
LogP1.41
Rot. Bonds4

About 5-(indazol-5-ylidenemethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-1H-imidazol-4-ol

5-(indazol-5-ylidenemethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-1H-imidazol-4-ol (PubChem CID 174106389) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-(indazol-5-ylidenemethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-1H-imidazol-4-ol.

Molecular Properties

Compound Name5-(indazol-5-ylidenemethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-1H-imidazol-4-ol
PubChem CID174106389
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name5-(indazol-5-ylidenemethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-1H-imidazol-4-ol
SMILESCN1CCN(c2ccc(Nc3nc(O)c(C=c4ccc5c(c4)C=NN=5)[nH]3)cc2)CC1
InChIInChI=1S/C22H23N7O/c1-28-8-10-29(11-9-28)18-5-3-17(4-6-18)24-22-25-20(21(30)26-22)13-15-2-7-19-16(12-15)14-23-27-19/h2-7,12-14,30H,8-11H2,1H3,(H2,24,25,26)
InChIKeyVIQHUUNYDHOIMP-UHFFFAOYSA-N
XLogP1.41
TPSA92.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[4-(4-methylpiperazin-1-yl)anilino]-1H-pyrimidin-6-one
CID 71143055
(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109208189
(4-methylpiperazin-1-yl)-[5-[4-(4-methylpiperazin-1-yl)anilino]-3-pyridinyl]methanone
CID 109230198
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868556
N-[3-[[2-(2-bicyclo[2.2.1]heptanylamino)-4-hydroxy-1H-imidazol-5-yl]methylidene]pyrrolo[2,3-b]pyridin-5-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 136630155
4-[[4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzoic acid
CID 58911122
[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298550
azepan-1-yl-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]methanone
CID 109313354
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-pyrazol-4-yl)pyrimidin-2-amine
CID 141081126
azepan-1-yl-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]methanone
CID 109264917
N-[4-(4-methylpiperazin-1-yl)phenyl]azepane-1-carboxamide
CID 108991074
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
CID 112870787

Frequently Asked Questions

What is the IUPAC name of 5-(indazol-5-ylidenemethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-1H-imidazol-4-ol?
The IUPAC name of 5-(indazol-5-ylidenemethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-1H-imidazol-4-ol (CID 174106389) is 5-(indazol-5-ylidenemethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-1H-imidazol-4-ol.
What is the SMILES notation for 5-(indazol-5-ylidenemethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-1H-imidazol-4-ol?
The canonical SMILES for 5-(indazol-5-ylidenemethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-1H-imidazol-4-ol is CN1CCN(c2ccc(Nc3nc(O)c(C=c4ccc5c(c4)C=NN=5)[nH]3)cc2)CC1.
What is the InChIKey of 5-(indazol-5-ylidenemethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-1H-imidazol-4-ol?
The InChIKey is VIQHUUNYDHOIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-28-8-10-29(11-9-28)18-5-3-17(4-6-18)24-22-25-20(21(30)26-22)13-15-2-7-19-16(12-15)14-23-27-19/h2-7,12-14,30H,8-11H2,1H3,(H2,24,25,26).
What are the key properties of 5-(indazol-5-ylidenemethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-1H-imidazol-4-ol?
5-(indazol-5-ylidenemethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-1H-imidazol-4-ol has a molecular weight of 401.47 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(indazol-5-ylidenemethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-1H-imidazol-4-ol is sourced from PubChem (CID 174106389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).