1-[(2S)-1-[[6-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-(1H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine

C49H46N8O3 — CID 90901681

IUPAC1-[(2S)-1-[[6-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-(1H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine
SMILESCCc1ncc(OC[C@H](Cc2ccccc2)N(N)[C@H](COc2cnc(-c3ccoc3)c(-c3ccc4[nH]ncc4c3)c2)Cc2ccccc2)cc1-c1ccc2n[nH]c(C)c2c1
InChIInChI=1S/C49H46N8O3/c1-3-46-44(36-15-17-48-43(23-36)32(2)54-56-48)24-41(27-51-46)59-30-39(20-33-10-6-4-7-11-33)57(50)40(21-34-12-8-5-9-13-34)31-60-42-25-45(49(52-28-42)37-18-19-58-29-37)35-14-16-47-38(22-35)26-53-55-47/h4-19,22-29,39-40H,3,20-21,30-31,50H2,1-2H3,(H,53,55)(H,54,56)/t39-,40-/m0/s1
InChIKeyPTMMXPYNHQZLAV-ZAQUEYBZSA-N
MW794.96 g/mol
LogP9.55
Rot. Bonds16

About 1-[(2S)-1-[[6-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-(1H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine

1-[(2S)-1-[[6-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-(1H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine (PubChem CID 90901681) has the molecular formula C49H46N8O3 and a molecular weight of 794.96 g/mol. Its IUPAC name is 1-[(2S)-1-[[6-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-(1H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name1-[(2S)-1-[[6-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-(1H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine
PubChem CID90901681
Molecular FormulaC49H46N8O3
Molecular Weight794.96 g/mol
Exact Mass794.37
IUPAC Name1-[(2S)-1-[[6-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-(1H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine
SMILESCCc1ncc(OC[C@H](Cc2ccccc2)N(N)[C@H](COc2cnc(-c3ccoc3)c(-c3ccc4[nH]ncc4c3)c2)Cc2ccccc2)cc1-c1ccc2n[nH]c(C)c2c1
InChIInChI=1S/C49H46N8O3/c1-3-46-44(36-15-17-48-43(23-36)32(2)54-56-48)24-41(27-51-46)59-30-39(20-33-10-6-4-7-11-33)57(50)40(21-34-12-8-5-9-13-34)31-60-42-25-45(49(52-28-42)37-18-19-58-29-37)35-14-16-47-38(22-35)26-53-55-47/h4-19,22-29,39-40H,3,20-21,30-31,50H2,1-2H3,(H,53,55)(H,54,56)/t39-,40-/m0/s1
InChIKeyPTMMXPYNHQZLAV-ZAQUEYBZSA-N
XLogP9.55
TPSA144.00 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.96
LogP ≤ 59.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[(2S)-1-[[6-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-(1H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine with MolForge

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Launch Full Analysis

Related Compounds

(2s)-1-{[6-Furan-3-Yl-5-(3-Methyl-2h-Indazol-5-Yl)pyridin-3-Yl]oxy}-3-(1h-Indol-3-Yl)propan-2-Amine
CID 46225540
(3Z)-5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}pyridin-3-yl)-3-(furan-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 11751896
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-[(5-methylfuran-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 23647568
3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 25222706
(2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-indazol-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propan-2-amine
CID 46190874
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46225572
3-[(2S)-2-amino-3-phenylpropoxy]-5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridine
CID 23647441
5-(1-Methyl-1H-pyrazol-4-yl)-3-(3-(pyridin-4-yl)phenyl)furo[3,2-b]pyridine
CID 155891794
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-[(4,5-dimethylfuran-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 23647569
(3E)-5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}pyridin-3-yl)-3-(furan-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 25023776
5-(5-((S)-2-amino-3-(1H-indol-3-yl)propoxy)pyridin-3-yl)-3-(furan-2-yl)indolin-2-one
CID 45482057
(S)-1-(5-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine
CID 46190875

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-[[6-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-(1H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine?
The IUPAC name of 1-[(2S)-1-[[6-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-(1H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine (CID 90901681) is 1-[(2S)-1-[[6-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-(1H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine.
What is the SMILES notation for 1-[(2S)-1-[[6-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-(1H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine?
The canonical SMILES for 1-[(2S)-1-[[6-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-(1H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine is CCc1ncc(OC[C@H](Cc2ccccc2)N(N)[C@H](COc2cnc(-c3ccoc3)c(-c3ccc4[nH]ncc4c3)c2)Cc2ccccc2)cc1-c1ccc2n[nH]c(C)c2c1.
What is the InChIKey of 1-[(2S)-1-[[6-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-(1H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine?
The InChIKey is PTMMXPYNHQZLAV-ZAQUEYBZSA-N. The full InChI is InChI=1S/C49H46N8O3/c1-3-46-44(36-15-17-48-43(23-36)32(2)54-56-48)24-41(27-51-46)59-30-39(20-33-10-6-4-7-11-33)57(50)40(21-34-12-8-5-9-13-34)31-60-42-25-45(49(52-28-42)37-18-19-58-29-37)35-14-16-47-38(22-35)26-53-55-47/h4-19,22-29,39-40H,3,20-21,30-31,50H2,1-2H3,(H,53,55)(H,54,56)/t39-,40-/m0/s1.
What are the key properties of 1-[(2S)-1-[[6-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-(1H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine?
1-[(2S)-1-[[6-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-(1H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine has a molecular weight of 794.96 g/mol, XLogP of 9.55, 16 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-[[6-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-(1H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine is sourced from PubChem (CID 90901681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).