N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-4-amine

C28H27N5O2 — CID 991147

IUPACN-(4-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-4-amine
SMILESCOc1ccc(/N=C/C2=C(Nc3ccc(OC)cc3)c3c(C)nn(-c4ccccn4)c3CC2)cc1
InChIInChI=1S/C28H27N5O2/c1-19-27-25(33(32-19)26-6-4-5-17-29-26)16-7-20(18-30-21-8-12-23(34-2)13-9-21)28(27)31-22-10-14-24(35-3)15-11-22/h4-6,8-15,17-18,31H,7,16H2,1-3H3/b30-18+
InChIKeyFFFWAXKXGIIRFJ-UXHLAJHPSA-N
MW465.56 g/mol
LogP5.76
Rot. Bonds7

About N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-4-amine

N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-4-amine (PubChem CID 991147) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-4-amine
PubChem CID991147
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC NameN-(4-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-4-amine
SMILESCOc1ccc(/N=C/C2=C(Nc3ccc(OC)cc3)c3c(C)nn(-c4ccccn4)c3CC2)cc1
InChIInChI=1S/C28H27N5O2/c1-19-27-25(33(32-19)26-6-4-5-17-29-26)16-7-20(18-30-21-8-12-23(34-2)13-9-21)28(27)31-22-10-14-24(35-3)15-11-22/h4-6,8-15,17-18,31H,7,16H2,1-3H3/b30-18+
InChIKeyFFFWAXKXGIIRFJ-UXHLAJHPSA-N
XLogP5.76
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-4-amine (CID 991147) is N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-4-amine is COc1ccc(/N=C/C2=C(Nc3ccc(OC)cc3)c3c(C)nn(-c4ccccn4)c3CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-4-amine?
The InChIKey is FFFWAXKXGIIRFJ-UXHLAJHPSA-N. The full InChI is InChI=1S/C28H27N5O2/c1-19-27-25(33(32-19)26-6-4-5-17-29-26)16-7-20(18-30-21-8-12-23(34-2)13-9-21)28(27)31-22-10-14-24(35-3)15-11-22/h4-6,8-15,17-18,31H,7,16H2,1-3H3/b30-18+.
What are the key properties of N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-4-amine?
N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-4-amine has a molecular weight of 465.56 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-4-amine is sourced from PubChem (CID 991147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).