N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine

C24H25N5O — CID 141177346

IUPACN-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine
SMILESCN1CCN(c2ccc(N/C=C3\CN=Cc4ccc(-c5ccoc5)cc43)nc2)CC1
InChIInChI=1S/C24H25N5O/c1-28-7-9-29(10-8-28)22-4-5-24(27-16-22)26-15-21-14-25-13-19-3-2-18(12-23(19)21)20-6-11-30-17-20/h2-6,11-13,15-17H,7-10,14H2,1H3,(H,26,27)/b21-15+
InChIKeyRYAWKVPMOPIXOE-RCCKNPSSSA-N
MW399.50 g/mol
LogP3.98
Rot. Bonds4

About N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine

N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine (PubChem CID 141177346) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine
PubChem CID141177346
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC NameN-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine
SMILESCN1CCN(c2ccc(N/C=C3\CN=Cc4ccc(-c5ccoc5)cc43)nc2)CC1
InChIInChI=1S/C24H25N5O/c1-28-7-9-29(10-8-28)22-4-5-24(27-16-22)26-15-21-14-25-13-19-3-2-18(12-23(19)21)20-6-11-30-17-20/h2-6,11-13,15-17H,7-10,14H2,1H3,(H,26,27)/b21-15+
InChIKeyRYAWKVPMOPIXOE-RCCKNPSSSA-N
XLogP3.98
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine
CID 141177489
N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-5-amine
CID 141177532
N-[[6-(1H-indol-5-yl)-3H-isoquinolin-4-ylidene]methyl]-4-(4-methylpiperazin-1-yl)aniline
CID 141177542
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine
CID 142567302
5-[4-[[4-(4-methylpiperazin-1-yl)anilino]methylidene]-3H-isoquinolin-6-yl]pent-4-en-1-ol
CID 141177485
2,2-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 47215724
5-(4-methylpiperazin-1-yl)-N-propan-2-ylpyridin-2-amine
CID 90810476
6-(3H-isoindol-5-yl)-5-methyl-N-(5-piperazin-1-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine
CID 160634171
5-(2-hydroxy-5-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyridine-2-carboxamide
CID 172895620
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide
CID 113025882
1-(6-chloro-3-pyridinyl)-4-methylpiperazine
CID 75355748
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide
CID 86850853

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine?
The IUPAC name of N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine (CID 141177346) is N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine.
What is the SMILES notation for N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine?
The canonical SMILES for N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine is CN1CCN(c2ccc(N/C=C3\CN=Cc4ccc(-c5ccoc5)cc43)nc2)CC1.
What is the InChIKey of N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine?
The InChIKey is RYAWKVPMOPIXOE-RCCKNPSSSA-N. The full InChI is InChI=1S/C24H25N5O/c1-28-7-9-29(10-8-28)22-4-5-24(27-16-22)26-15-21-14-25-13-19-3-2-18(12-23(19)21)20-6-11-30-17-20/h2-6,11-13,15-17H,7-10,14H2,1H3,(H,26,27)/b21-15+.
What are the key properties of N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine?
N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine has a molecular weight of 399.50 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine is sourced from PubChem (CID 141177346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).