5-(4-fluoro-2-pyridinyl)-6-[2-[2-[4-methoxy-5-(3-methyl-2-pyridinyl)-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-5-methyl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-3-carboxamide

C41H33FN8O2 — CID 123233826

IUPAC5-(4-fluoro-2-pyridinyl)-6-[2-[2-[4-methoxy-5-(3-methyl-2-pyridinyl)-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-5-methyl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-3-carboxamide
SMILESCOc1c(-c2ncccc2C)cnc(-c2ncc(C)cc2-c2nc(C)ccc2-c2ncc(C(N)=O)cc2-c2cc(F)ccn2)c1-c1cc(C)ccn1
InChIInChI=1S/C41H33FN8O2/c1-22-10-13-45-33(16-22)34-39(49-21-31(40(34)52-5)35-24(3)7-6-12-46-35)38-30(15-23(2)19-47-38)37-28(9-8-25(4)50-37)36-29(17-26(20-48-36)41(43)51)32-18-27(42)11-14-44-32/h6-21H,1-5H3,(H2,43,51)
InChIKeyPTKWHJZNDVEPEM-UHFFFAOYSA-N
MW688.77 g/mol
LogP7.93
Rot. Bonds8

About 5-(4-fluoro-2-pyridinyl)-6-[2-[2-[4-methoxy-5-(3-methyl-2-pyridinyl)-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-5-methyl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-3-carboxamide

5-(4-fluoro-2-pyridinyl)-6-[2-[2-[4-methoxy-5-(3-methyl-2-pyridinyl)-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-5-methyl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 123233826) has the molecular formula C41H33FN8O2 and a molecular weight of 688.77 g/mol. Its IUPAC name is 5-(4-fluoro-2-pyridinyl)-6-[2-[2-[4-methoxy-5-(3-methyl-2-pyridinyl)-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-5-methyl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluoro-2-pyridinyl)-6-[2-[2-[4-methoxy-5-(3-methyl-2-pyridinyl)-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-5-methyl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-3-carboxamide
PubChem CID123233826
Molecular FormulaC41H33FN8O2
Molecular Weight688.77 g/mol
Exact Mass688.27
IUPAC Name5-(4-fluoro-2-pyridinyl)-6-[2-[2-[4-methoxy-5-(3-methyl-2-pyridinyl)-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-5-methyl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-3-carboxamide
SMILESCOc1c(-c2ncccc2C)cnc(-c2ncc(C)cc2-c2nc(C)ccc2-c2ncc(C(N)=O)cc2-c2cc(F)ccn2)c1-c1cc(C)ccn1
InChIInChI=1S/C41H33FN8O2/c1-22-10-13-45-33(16-22)34-39(49-21-31(40(34)52-5)35-24(3)7-6-12-46-35)38-30(15-23(2)19-47-38)37-28(9-8-25(4)50-37)36-29(17-26(20-48-36)41(43)51)32-18-27(42)11-14-44-32/h6-21H,1-5H3,(H2,43,51)
InChIKeyPTKWHJZNDVEPEM-UHFFFAOYSA-N
XLogP7.93
TPSA142.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.77
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-(4-fluoro-2-pyridinyl)-6-[2-[2-[4-methoxy-5-(3-methyl-2-pyridinyl)-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-5-methyl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-(2-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 168276974
(6-(3-(Benzyloxy)phenyl) pyridin-3-yl)(4-(4-fluorobenzyl)piperazin-1-yl)methanone
CID 56653045
4-(4-Fluorophenyl)-2-methoxy-6-pyridin-2-ylpyridine-3-carboxamide
CID 154644712
5-(6-methoxy-3-pyridinyl)-6-phenyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 172434071
1-[4-[5-(6-Methoxy-3-pyridinyl)-6-phenylpyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 172434399
5-(6-methoxy-3-pyridinyl)-6-(3-methylphenyl)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 172435757
6-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 172438681
5-[4-(4-Methoxyphenyl)piperazine-1-carbonyl]-2,3'-bipyridine
CID 71841629
5-[4-(3-Methoxyphenyl)piperazine-1-carbonyl]-2,3'-bipyridine
CID 71841634
N-[(2-methoxyphenyl)methyl]-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46068684
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(6-fluoro-2-pyridinyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 44633767
1-[6-(4-Fluorophenoxy)-3-pyridinyl]-2-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]ethanone
CID 58073531

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-pyridinyl)-6-[2-[2-[4-methoxy-5-(3-methyl-2-pyridinyl)-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-5-methyl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-fluoro-2-pyridinyl)-6-[2-[2-[4-methoxy-5-(3-methyl-2-pyridinyl)-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-5-methyl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-3-carboxamide (CID 123233826) is 5-(4-fluoro-2-pyridinyl)-6-[2-[2-[4-methoxy-5-(3-methyl-2-pyridinyl)-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-5-methyl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-fluoro-2-pyridinyl)-6-[2-[2-[4-methoxy-5-(3-methyl-2-pyridinyl)-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-5-methyl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-fluoro-2-pyridinyl)-6-[2-[2-[4-methoxy-5-(3-methyl-2-pyridinyl)-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-5-methyl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-3-carboxamide is COc1c(-c2ncccc2C)cnc(-c2ncc(C)cc2-c2nc(C)ccc2-c2ncc(C(N)=O)cc2-c2cc(F)ccn2)c1-c1cc(C)ccn1.
What is the InChIKey of 5-(4-fluoro-2-pyridinyl)-6-[2-[2-[4-methoxy-5-(3-methyl-2-pyridinyl)-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-5-methyl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is PTKWHJZNDVEPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33FN8O2/c1-22-10-13-45-33(16-22)34-39(49-21-31(40(34)52-5)35-24(3)7-6-12-46-35)38-30(15-23(2)19-47-38)37-28(9-8-25(4)50-37)36-29(17-26(20-48-36)41(43)51)32-18-27(42)11-14-44-32/h6-21H,1-5H3,(H2,43,51).
What are the key properties of 5-(4-fluoro-2-pyridinyl)-6-[2-[2-[4-methoxy-5-(3-methyl-2-pyridinyl)-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-5-methyl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-3-carboxamide?
5-(4-fluoro-2-pyridinyl)-6-[2-[2-[4-methoxy-5-(3-methyl-2-pyridinyl)-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-5-methyl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 688.77 g/mol, XLogP of 7.93, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-pyridinyl)-6-[2-[2-[4-methoxy-5-(3-methyl-2-pyridinyl)-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-5-methyl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 123233826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).