N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine

C25H28N6O — CID 11948380

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine
SMILESCOc1ccc2nccc(-n3cc4c(n3)CCC(NCc3ccc(N(C)C)cc3)C4)c2n1
InChIInChI=1S/C25H28N6O/c1-30(2)20-7-4-17(5-8-20)15-27-19-6-9-21-18(14-19)16-31(29-21)23-12-13-26-22-10-11-24(32-3)28-25(22)23/h4-5,7-8,10-13,16,19,27H,6,9,14-15H2,1-3H3
InChIKeyAFYIFULNYNIAEI-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.54
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine

N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine (PubChem CID 11948380) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine
PubChem CID11948380
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine
SMILESCOc1ccc2nccc(-n3cc4c(n3)CCC(NCc3ccc(N(C)C)cc3)C4)c2n1
InChIInChI=1S/C25H28N6O/c1-30(2)20-7-4-17(5-8-20)15-27-19-6-9-21-18(14-19)16-31(29-21)23-12-13-26-22-10-11-24(32-3)28-25(22)23/h4-5,7-8,10-13,16,19,27H,6,9,14-15H2,1-3H3
InChIKeyAFYIFULNYNIAEI-UHFFFAOYSA-N
XLogP3.54
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine (CID 11948380) is N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine is COc1ccc2nccc(-n3cc4c(n3)CCC(NCc3ccc(N(C)C)cc3)C4)c2n1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine?
The InChIKey is AFYIFULNYNIAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-30(2)20-7-4-17(5-8-20)15-27-19-6-9-21-18(14-19)16-31(29-21)23-12-13-26-22-10-11-24(32-3)28-25(22)23/h4-5,7-8,10-13,16,19,27H,6,9,14-15H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine?
N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine has a molecular weight of 428.54 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine is sourced from PubChem (CID 11948380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).