N-[cyclobutyl-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methylidene]hydroxylamine;1-cyclopropyl-N-methoxy-1-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methanimine

C46H44N8O2 — CID 173221541

IUPACN-[cyclobutyl-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methylidene]hydroxylamine;1-cyclopropyl-N-methoxy-1-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methanimine
SMILESCON=C(c1n[nH]c2c1C=CC(c1ccccc1)(c1ccncc1)C2)C1CC1.ON=C(c1n[nH]c2c1C=CC(c1ccccc1)(c1ccncc1)C2)C1CCC1
InChIInChI=1S/2C23H22N4O/c1-28-27-21(16-7-8-16)22-19-9-12-23(15-20(19)25-26-22,17-5-3-2-4-6-17)18-10-13-24-14-11-18;28-27-21(16-5-4-6-16)22-19-9-12-23(15-20(19)25-26-22,17-7-2-1-3-8-17)18-10-13-24-14-11-18/h2-6,9-14,16H,7-8,15H2,1H3,(H,25,26);1-3,7-14,16,28H,4-6,15H2,(H,25,26)
InChIKeyRULFPDQJHHGGPJ-UHFFFAOYSA-N
MW740.91 g/mol
LogP8.46
Rot. Bonds9

About N-[cyclobutyl-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methylidene]hydroxylamine;1-cyclopropyl-N-methoxy-1-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methanimine

N-[cyclobutyl-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methylidene]hydroxylamine;1-cyclopropyl-N-methoxy-1-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methanimine (PubChem CID 173221541) has the molecular formula C46H44N8O2 and a molecular weight of 740.91 g/mol. Its IUPAC name is N-[cyclobutyl-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methylidene]hydroxylamine;1-cyclopropyl-N-methoxy-1-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methanimine.

Molecular Properties

Compound NameN-[cyclobutyl-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methylidene]hydroxylamine;1-cyclopropyl-N-methoxy-1-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methanimine
PubChem CID173221541
Molecular FormulaC46H44N8O2
Molecular Weight740.91 g/mol
Exact Mass740.36
IUPAC NameN-[cyclobutyl-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methylidene]hydroxylamine;1-cyclopropyl-N-methoxy-1-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methanimine
SMILESCON=C(c1n[nH]c2c1C=CC(c1ccccc1)(c1ccncc1)C2)C1CC1.ON=C(c1n[nH]c2c1C=CC(c1ccccc1)(c1ccncc1)C2)C1CCC1
InChIInChI=1S/2C23H22N4O/c1-28-27-21(16-7-8-16)22-19-9-12-23(15-20(19)25-26-22,17-5-3-2-4-6-17)18-10-13-24-14-11-18;28-27-21(16-5-4-6-16)22-19-9-12-23(15-20(19)25-26-22,17-7-2-1-3-8-17)18-10-13-24-14-11-18/h2-6,9-14,16H,7-8,15H2,1H3,(H,25,26);1-3,7-14,16,28H,4-6,15H2,(H,25,26)
InChIKeyRULFPDQJHHGGPJ-UHFFFAOYSA-N
XLogP8.46
TPSA137.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 58.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[cyclobutyl-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methylidene]hydroxylamine;1-cyclopropyl-N-methoxy-1-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methanimine with MolForge

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Related Compounds

(NE)-N-[cyclobutyl-[6-(4-fluorophenyl)-6-phenyl-1,7-dihydroindazol-3-yl]methylidene]hydroxylamine
CID 135594027
(NE)-N-[cyclobutyl-[6-(3-methoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]methylidene]hydroxylamine
CID 135594007
(E)-1-[6,6-bis(3-methoxyphenyl)-1,7-dihydroindazol-3-yl]-1-cyclopropyl-N-methoxymethanimine
CID 135594009
(E)-1-cyclobutyl-1-[6,6-di(thiophen-3-yl)-1,7-dihydroindazol-3-yl]-N-methoxymethanimine
CID 135761902
(E)-1-cyclopropyl-1-(5,5-diphenyl-2,4-dihydroisoindol-1-yl)-N-methoxymethanimine
CID 135761900
1-[6,6-bis(3-methoxyphenyl)-1,7-dihydroindazol-3-yl]-1-cyclobutyl-N-methoxymethanimine;6,6-bis(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-7H-indazol-3-amine
CID 157348650
[6,6-bis[4-(dimethylamino)phenyl]-1,7-dihydroindazol-3-yl]-cyclobutylmethanone;[6,6-bis[4-(dimethylamino)phenyl]-1,7-dihydroindazol-3-yl]-cyclopropylmethanone
CID 157207881
N-[6-(3,4-dimethoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide
CID 91306480
N-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide
CID 91352994
N-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide
CID 90721486
N-[6,6-bis(3-fluorophenyl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide;6,6-bis(3-fluorophenyl)-3-phenyl-1,7-dihydroindazole
CID 159315960
6-(3-fluorophenyl)-3-(1H-imidazol-5-yl)-6-phenyl-1,7-dihydroindazole
CID 135761901

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methylidene]hydroxylamine;1-cyclopropyl-N-methoxy-1-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methanimine?
The IUPAC name of N-[cyclobutyl-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methylidene]hydroxylamine;1-cyclopropyl-N-methoxy-1-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methanimine (CID 173221541) is N-[cyclobutyl-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methylidene]hydroxylamine;1-cyclopropyl-N-methoxy-1-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methanimine.
What is the SMILES notation for N-[cyclobutyl-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methylidene]hydroxylamine;1-cyclopropyl-N-methoxy-1-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methanimine?
The canonical SMILES for N-[cyclobutyl-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methylidene]hydroxylamine;1-cyclopropyl-N-methoxy-1-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methanimine is CON=C(c1n[nH]c2c1C=CC(c1ccccc1)(c1ccncc1)C2)C1CC1.ON=C(c1n[nH]c2c1C=CC(c1ccccc1)(c1ccncc1)C2)C1CCC1.
What is the InChIKey of N-[cyclobutyl-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methylidene]hydroxylamine;1-cyclopropyl-N-methoxy-1-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methanimine?
The InChIKey is RULFPDQJHHGGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H22N4O/c1-28-27-21(16-7-8-16)22-19-9-12-23(15-20(19)25-26-22,17-5-3-2-4-6-17)18-10-13-24-14-11-18;28-27-21(16-5-4-6-16)22-19-9-12-23(15-20(19)25-26-22,17-7-2-1-3-8-17)18-10-13-24-14-11-18/h2-6,9-14,16H,7-8,15H2,1H3,(H,25,26);1-3,7-14,16,28H,4-6,15H2,(H,25,26).
What are the key properties of N-[cyclobutyl-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methylidene]hydroxylamine;1-cyclopropyl-N-methoxy-1-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methanimine?
N-[cyclobutyl-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methylidene]hydroxylamine;1-cyclopropyl-N-methoxy-1-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methanimine has a molecular weight of 740.91 g/mol, XLogP of 8.46, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methylidene]hydroxylamine;1-cyclopropyl-N-methoxy-1-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methanimine is sourced from PubChem (CID 173221541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).