N-[4-(4-fluorophenoxy)cyclohexa-1,5-dien-1-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide

C31H23FN4O3 — CID 144555366

IUPACN-[4-(4-fluorophenoxy)cyclohexa-1,5-dien-1-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(NC1=CCC(Oc2ccc(F)cc2)C=C1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C31H23FN4O3/c32-22-7-11-25(12-8-22)38-26-13-9-23(10-14-26)34-31(37)30-28-17-20(6-15-29(28)35-36-30)21-16-27(19-33-18-21)39-24-4-2-1-3-5-24/h1-13,15-19,26H,14H2,(H,34,37)(H,35,36)
InChIKeyGTNMTAGPYIFSPE-UHFFFAOYSA-N
MW518.55 g/mol
LogP6.58
Rot. Bonds7

About N-[4-(4-fluorophenoxy)cyclohexa-1,5-dien-1-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide

N-[4-(4-fluorophenoxy)cyclohexa-1,5-dien-1-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 144555366) has the molecular formula C31H23FN4O3 and a molecular weight of 518.55 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)cyclohexa-1,5-dien-1-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)cyclohexa-1,5-dien-1-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID144555366
Molecular FormulaC31H23FN4O3
Molecular Weight518.55 g/mol
Exact Mass518.18
IUPAC NameN-[4-(4-fluorophenoxy)cyclohexa-1,5-dien-1-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(NC1=CCC(Oc2ccc(F)cc2)C=C1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C31H23FN4O3/c32-22-7-11-25(12-8-22)38-26-13-9-23(10-14-26)34-31(37)30-28-17-20(6-15-29(28)35-36-30)21-16-27(19-33-18-21)39-24-4-2-1-3-5-24/h1-13,15-19,26H,14H2,(H,34,37)(H,35,36)
InChIKeyGTNMTAGPYIFSPE-UHFFFAOYSA-N
XLogP6.58
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.55
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-fluorophenoxy)cyclohexa-1,5-dien-1-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide with MolForge

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Related Compounds

A-674563
CID 11314340
(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
5-{5-[(2S)-2-amino-3-(5-fluoro-2-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731499
5-{5-[(2S)-2-amino-3-(4-fluoro-3-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731501
5-{5-[(2S)-2-amino-3-[4-(trifluoromethoxy)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731505
5-{5-[(2S)-2-amino-3-(3-phenylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731507
5-{5-[(2S)-2-amino-3-(4-fluoro-2-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731662
5-{5-[(2S)-2-amino-3-(3-fluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731988
5-{5-[(2S)-2-amino-3-(2,4-difluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731989
5-{5-[(2S)-2-amino-3-(2,4,6-trifluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731990
5-{5-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732279
5-{5-[(2S)-2-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732414

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)cyclohexa-1,5-dien-1-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(4-fluorophenoxy)cyclohexa-1,5-dien-1-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (CID 144555366) is N-[4-(4-fluorophenoxy)cyclohexa-1,5-dien-1-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)cyclohexa-1,5-dien-1-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)cyclohexa-1,5-dien-1-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide is O=C(NC1=CCC(Oc2ccc(F)cc2)C=C1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12.
What is the InChIKey of N-[4-(4-fluorophenoxy)cyclohexa-1,5-dien-1-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is GTNMTAGPYIFSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23FN4O3/c32-22-7-11-25(12-8-22)38-26-13-9-23(10-14-26)34-31(37)30-28-17-20(6-15-29(28)35-36-30)21-16-27(19-33-18-21)39-24-4-2-1-3-5-24/h1-13,15-19,26H,14H2,(H,34,37)(H,35,36).
What are the key properties of N-[4-(4-fluorophenoxy)cyclohexa-1,5-dien-1-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
N-[4-(4-fluorophenoxy)cyclohexa-1,5-dien-1-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 518.55 g/mol, XLogP of 6.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)cyclohexa-1,5-dien-1-yl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 144555366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).