2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)furan-2-yl]-5-(trifluoromethyl)-2-pyridinyl]pyridine-4-carboxylic acid

C35H25F3N4O5 — CID 145054897

IUPAC2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)furan-2-yl]-5-(trifluoromethyl)-2-pyridinyl]pyridine-4-carboxylic acid
SMILESCC1CC=CC=C1N(c1ccccc1)c1ccc(-c2cc(-c3cc(C(=O)O)cc(-c4cc(C(=O)O)ccn4)n3)ncc2C(F)(F)F)o1
InChIInChI=1S/C35H25F3N4O5/c1-20-7-5-6-10-30(20)42(23-8-3-2-4-9-23)32-12-11-31(47-32)24-18-27(40-19-25(24)35(36,37)38)29-17-22(34(45)46)16-28(41-29)26-15-21(33(43)44)13-14-39-26/h2-6,8-20H,7H2,1H3,(H,43,44)(H,45,46)
InChIKeyMZJYPUKHHWMVPK-UHFFFAOYSA-N
MW638.60 g/mol
LogP8.50
Rot. Bonds8

About 2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)furan-2-yl]-5-(trifluoromethyl)-2-pyridinyl]pyridine-4-carboxylic acid

2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)furan-2-yl]-5-(trifluoromethyl)-2-pyridinyl]pyridine-4-carboxylic acid (PubChem CID 145054897) has the molecular formula C35H25F3N4O5 and a molecular weight of 638.60 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)furan-2-yl]-5-(trifluoromethyl)-2-pyridinyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)furan-2-yl]-5-(trifluoromethyl)-2-pyridinyl]pyridine-4-carboxylic acid
PubChem CID145054897
Molecular FormulaC35H25F3N4O5
Molecular Weight638.60 g/mol
Exact Mass638.18
IUPAC Name2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)furan-2-yl]-5-(trifluoromethyl)-2-pyridinyl]pyridine-4-carboxylic acid
SMILESCC1CC=CC=C1N(c1ccccc1)c1ccc(-c2cc(-c3cc(C(=O)O)cc(-c4cc(C(=O)O)ccn4)n3)ncc2C(F)(F)F)o1
InChIInChI=1S/C35H25F3N4O5/c1-20-7-5-6-10-30(20)42(23-8-3-2-4-9-23)32-12-11-31(47-32)24-18-27(40-19-25(24)35(36,37)38)29-17-22(34(45)46)16-28(41-29)26-15-21(33(43)44)13-14-39-26/h2-6,8-20H,7H2,1H3,(H,43,44)(H,45,46)
InChIKeyMZJYPUKHHWMVPK-UHFFFAOYSA-N
XLogP8.50
TPSA129.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.60
LogP ≤ 58.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)furan-2-yl]-5-(trifluoromethyl)-2-pyridinyl]pyridine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[6-(6-Ethoxy-3-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid
CID 168277525
6-[3-[4-[4-[5-(Trifluoromethyl)pyridin-2-yl]oxyphenoxy]carbonylpiperazin-1-yl]propyl]pyridine-3-carboxylic acid
CID 11421211
Methyl 4,6-bis(4-fluorophenyl)-5-(4-pyridyl)furo[2,3-b]pyridine-2-carboxylate
CID 11532303
4,6-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxamide
CID 11533936
2-[4,6-Bis-(4-fluorophenyl)-5-(4-pyridyl)furo[2,3-b]pyridin-2-yl]propan-2-ol
CID 11597409
[4,6-Bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]methanol
CID 11704337
2-[6-(4-Fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073421
1-[6-[4-(2,4-Difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone
CID 58073508
4-[[5-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]-N,N-dimethylbenzamide
CID 58073569
3-Fluoro-4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]furo[2,3-c]pyridin-5-yl]benzoic acid
CID 67973660
(Z)-but-2-enedioic acid;N-[6-[2-[4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxypyridin-3-yl]-N-methyl-4-(trifluoromethyl)benzamide
CID 68055372
but-2-enedioic acid;N-[6-[2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 68055374

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)furan-2-yl]-5-(trifluoromethyl)-2-pyridinyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)furan-2-yl]-5-(trifluoromethyl)-2-pyridinyl]pyridine-4-carboxylic acid (CID 145054897) is 2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)furan-2-yl]-5-(trifluoromethyl)-2-pyridinyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)furan-2-yl]-5-(trifluoromethyl)-2-pyridinyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)furan-2-yl]-5-(trifluoromethyl)-2-pyridinyl]pyridine-4-carboxylic acid is CC1CC=CC=C1N(c1ccccc1)c1ccc(-c2cc(-c3cc(C(=O)O)cc(-c4cc(C(=O)O)ccn4)n3)ncc2C(F)(F)F)o1.
What is the InChIKey of 2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)furan-2-yl]-5-(trifluoromethyl)-2-pyridinyl]pyridine-4-carboxylic acid?
The InChIKey is MZJYPUKHHWMVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25F3N4O5/c1-20-7-5-6-10-30(20)42(23-8-3-2-4-9-23)32-12-11-31(47-32)24-18-27(40-19-25(24)35(36,37)38)29-17-22(34(45)46)16-28(41-29)26-15-21(33(43)44)13-14-39-26/h2-6,8-20H,7H2,1H3,(H,43,44)(H,45,46).
What are the key properties of 2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)furan-2-yl]-5-(trifluoromethyl)-2-pyridinyl]pyridine-4-carboxylic acid?
2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)furan-2-yl]-5-(trifluoromethyl)-2-pyridinyl]pyridine-4-carboxylic acid has a molecular weight of 638.60 g/mol, XLogP of 8.50, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)furan-2-yl]-5-(trifluoromethyl)-2-pyridinyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 145054897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).