2-[(4E,5E)-4-[2-[5-(cyclohexylmethyl)-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine

C31H31N7 — CID 145035464

IUPAC2-[(4E,5E)-4-[2-[5-(cyclohexylmethyl)-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
SMILESC=C(/C=c1/c(-c2nc3nccc(-c4ccncc4)c3[nH]2)n[nH]/c1=C/C)c1cncc(CC2CCCCC2)c1
InChIInChI=1S/C31H31N7/c1-3-27-26(15-20(2)24-17-22(18-33-19-24)16-21-7-5-4-6-8-21)29(38-37-27)31-35-28-25(11-14-34-30(28)36-31)23-9-12-32-13-10-23/h3,9-15,17-19,21,37H,2,4-8,16H2,1H3,(H,34,35,36)/b26-15+,27-3+
InChIKeyVLAGNQNWGPWAFL-PGRXLYEPSA-N
MW501.64 g/mol
LogP5.22
Rot. Bonds6

About 2-[(4E,5E)-4-[2-[5-(cyclohexylmethyl)-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine

2-[(4E,5E)-4-[2-[5-(cyclohexylmethyl)-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 145035464) has the molecular formula C31H31N7 and a molecular weight of 501.64 g/mol. Its IUPAC name is 2-[(4E,5E)-4-[2-[5-(cyclohexylmethyl)-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(4E,5E)-4-[2-[5-(cyclohexylmethyl)-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
PubChem CID145035464
Molecular FormulaC31H31N7
Molecular Weight501.64 g/mol
Exact Mass501.26
IUPAC Name2-[(4E,5E)-4-[2-[5-(cyclohexylmethyl)-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
SMILESC=C(/C=c1/c(-c2nc3nccc(-c4ccncc4)c3[nH]2)n[nH]/c1=C/C)c1cncc(CC2CCCCC2)c1
InChIInChI=1S/C31H31N7/c1-3-27-26(15-20(2)24-17-22(18-33-19-24)16-21-7-5-4-6-8-21)29(38-37-27)31-35-28-25(11-14-34-30(28)36-31)23-9-12-32-13-10-23/h3,9-15,17-19,21,37H,2,4-8,16H2,1H3,(H,34,35,36)/b26-15+,27-3+
InChIKeyVLAGNQNWGPWAFL-PGRXLYEPSA-N
XLogP5.22
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.64
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4E,5E)-4-[2-[5-(cyclohexylmethyl)-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine with MolForge

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Related Compounds

2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
CID 145035050
N-[3-[2-[(4E,5E)-4-[2-[5-(cyclohexylmethyl)-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 145033306
3-[3-[2-[(5E)-5-[(E)-3-[5-(cyclohexylmethyl)-3-pyridinyl]but-2-enylidene]-4-methylidene-1H-pyrazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N,N-dimethylpropan-1-amine
CID 145252896
1-cyclopentyl-N-[[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 137041743
2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethane;7-(4-fluorophenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
CID 145036340
2-[(4E,5E)-5-ethylidene-4-[2-[5-(piperidin-4-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridine
CID 145247581
2-[5-[(2E,4E)-5-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
CID 145036151
3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137041908
N-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine
CID 145246963
N-(1-cyclohexylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine
CID 145034112
1-[5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 145034172
(3E,5E)-5-[(3E)-3-[(5E)-5-ethylidene-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-(3-piperidin-4-ylprop-1-en-2-yl)hepta-1,3,5-trien-3-amine
CID 145035100

Frequently Asked Questions

What is the IUPAC name of 2-[(4E,5E)-4-[2-[5-(cyclohexylmethyl)-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(4E,5E)-4-[2-[5-(cyclohexylmethyl)-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine (CID 145035464) is 2-[(4E,5E)-4-[2-[5-(cyclohexylmethyl)-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(4E,5E)-4-[2-[5-(cyclohexylmethyl)-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(4E,5E)-4-[2-[5-(cyclohexylmethyl)-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine is C=C(/C=c1/c(-c2nc3nccc(-c4ccncc4)c3[nH]2)n[nH]/c1=C/C)c1cncc(CC2CCCCC2)c1.
What is the InChIKey of 2-[(4E,5E)-4-[2-[5-(cyclohexylmethyl)-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is VLAGNQNWGPWAFL-PGRXLYEPSA-N. The full InChI is InChI=1S/C31H31N7/c1-3-27-26(15-20(2)24-17-22(18-33-19-24)16-21-7-5-4-6-8-21)29(38-37-27)31-35-28-25(11-14-34-30(28)36-31)23-9-12-32-13-10-23/h3,9-15,17-19,21,37H,2,4-8,16H2,1H3,(H,34,35,36)/b26-15+,27-3+.
What are the key properties of 2-[(4E,5E)-4-[2-[5-(cyclohexylmethyl)-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine?
2-[(4E,5E)-4-[2-[5-(cyclohexylmethyl)-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 501.64 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E,5E)-4-[2-[5-(cyclohexylmethyl)-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 145035464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).