4-[4-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]indazol-1-yl]-2-pyridinyl]-1-methylpiperazin-2-one

C21H23N7O — CID 156661924

IUPAC4-[4-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]indazol-1-yl]-2-pyridinyl]-1-methylpiperazin-2-one
SMILESC/N=C/C(=C\N)c1ccc2cnn(-c3ccnc(N4CCN(C)C(=O)C4)c3)c2c1
InChIInChI=1S/C21H23N7O/c1-23-12-17(11-22)15-3-4-16-13-25-28(19(16)9-15)18-5-6-24-20(10-18)27-8-7-26(2)21(29)14-27/h3-6,9-13H,7-8,14,22H2,1-2H3/b17-11+,23-12+
InChIKeyQLGYFHGVNSOONB-ZSZRBZNDSA-N
MW389.46 g/mol
LogP1.70
Rot. Bonds4

About 4-[4-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]indazol-1-yl]-2-pyridinyl]-1-methylpiperazin-2-one

4-[4-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]indazol-1-yl]-2-pyridinyl]-1-methylpiperazin-2-one (PubChem CID 156661924) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[4-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]indazol-1-yl]-2-pyridinyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]indazol-1-yl]-2-pyridinyl]-1-methylpiperazin-2-one
PubChem CID156661924
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name4-[4-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]indazol-1-yl]-2-pyridinyl]-1-methylpiperazin-2-one
SMILESC/N=C/C(=C\N)c1ccc2cnn(-c3ccnc(N4CCN(C)C(=O)C4)c3)c2c1
InChIInChI=1S/C21H23N7O/c1-23-12-17(11-22)15-3-4-16-13-25-28(19(16)9-15)18-5-6-24-20(10-18)27-8-7-26(2)21(29)14-27/h3-6,9-13H,7-8,14,22H2,1-2H3/b17-11+,23-12+
InChIKeyQLGYFHGVNSOONB-ZSZRBZNDSA-N
XLogP1.70
TPSA92.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[4-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]indazol-1-yl]-2-pyridinyl]-1-methylpiperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(Z)-3-methylimino-2-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine
CID 156661933
4-[5-[(Z)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpiperazin-2-one
CID 143530580
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole
CID 118930220
6-(1-methylpyrazol-4-yl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]indazole
CID 118930242
N-methyl-1-[1-[1-[2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]cyclobutyl]methanimine
CID 156518523
4-(1-amino-3-methyliminoprop-1-en-2-yl)-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline
CID 153099789
4-[6-(3-indazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 166223108
4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80843839
1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-[(2R)-spiro[2.2]pentan-2-yl]indazole
CID 174046981
6-butan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole
CID 145028092
4-(2-amino-4-pyridinyl)-1-methyl-1,4-diazepan-2-one
CID 102887615
formonitrile;1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-spiro[2.2]pentan-2-ylindazole
CID 142556902

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]indazol-1-yl]-2-pyridinyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[4-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]indazol-1-yl]-2-pyridinyl]-1-methylpiperazin-2-one (CID 156661924) is 4-[4-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]indazol-1-yl]-2-pyridinyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[4-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]indazol-1-yl]-2-pyridinyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[4-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]indazol-1-yl]-2-pyridinyl]-1-methylpiperazin-2-one is C/N=C/C(=C\N)c1ccc2cnn(-c3ccnc(N4CCN(C)C(=O)C4)c3)c2c1.
What is the InChIKey of 4-[4-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]indazol-1-yl]-2-pyridinyl]-1-methylpiperazin-2-one?
The InChIKey is QLGYFHGVNSOONB-ZSZRBZNDSA-N. The full InChI is InChI=1S/C21H23N7O/c1-23-12-17(11-22)15-3-4-16-13-25-28(19(16)9-15)18-5-6-24-20(10-18)27-8-7-26(2)21(29)14-27/h3-6,9-13H,7-8,14,22H2,1-2H3/b17-11+,23-12+.
What are the key properties of 4-[4-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]indazol-1-yl]-2-pyridinyl]-1-methylpiperazin-2-one?
4-[4-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]indazol-1-yl]-2-pyridinyl]-1-methylpiperazin-2-one has a molecular weight of 389.46 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]indazol-1-yl]-2-pyridinyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 156661924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).