2-[(5E)-5-[(2E,4E,5Z)-6-ethenyl-4-ethylidene-3-methyl-9-pyrrolidin-1-ylnona-2,5-dienylidene]-4-methylidene-1H-pyrazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine

C33H37N7 — CID 145248916

IUPAC2-[(5E)-5-[(2E,4E,5Z)-6-ethenyl-4-ethylidene-3-methyl-9-pyrrolidin-1-ylnona-2,5-dienylidene]-4-methylidene-1H-pyrazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine
SMILESC=C/C(=C/C(=C\C)/C(C)=C/C=c1/[nH]nc(-c2nc3c(-c4cccnc4)cncc3[nH]2)c1=C)CCCN1CCCC1
InChIInChI=1S/C33H37N7/c1-5-25(11-10-18-40-16-7-8-17-40)19-26(6-2)23(3)13-14-29-24(4)31(39-38-29)33-36-30-22-35-21-28(32(30)37-33)27-12-9-15-34-20-27/h5-6,9,12-15,19-22,38H,1,4,7-8,10-11,16-18H2,2-3H3,(H,36,37)/b23-13+,25-19+,26-6+,29-14+
InChIKeyPHPYBAIPHFIDOJ-MASAHGGNSA-N
MW531.71 g/mol
LogP5.48
Rot. Bonds10

About 2-[(5E)-5-[(2E,4E,5Z)-6-ethenyl-4-ethylidene-3-methyl-9-pyrrolidin-1-ylnona-2,5-dienylidene]-4-methylidene-1H-pyrazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine

2-[(5E)-5-[(2E,4E,5Z)-6-ethenyl-4-ethylidene-3-methyl-9-pyrrolidin-1-ylnona-2,5-dienylidene]-4-methylidene-1H-pyrazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine (PubChem CID 145248916) has the molecular formula C33H37N7 and a molecular weight of 531.71 g/mol. Its IUPAC name is 2-[(5E)-5-[(2E,4E,5Z)-6-ethenyl-4-ethylidene-3-methyl-9-pyrrolidin-1-ylnona-2,5-dienylidene]-4-methylidene-1H-pyrazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[(5E)-5-[(2E,4E,5Z)-6-ethenyl-4-ethylidene-3-methyl-9-pyrrolidin-1-ylnona-2,5-dienylidene]-4-methylidene-1H-pyrazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine
PubChem CID145248916
Molecular FormulaC33H37N7
Molecular Weight531.71 g/mol
Exact Mass531.31
IUPAC Name2-[(5E)-5-[(2E,4E,5Z)-6-ethenyl-4-ethylidene-3-methyl-9-pyrrolidin-1-ylnona-2,5-dienylidene]-4-methylidene-1H-pyrazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine
SMILESC=C/C(=C/C(=C\C)/C(C)=C/C=c1/[nH]nc(-c2nc3c(-c4cccnc4)cncc3[nH]2)c1=C)CCCN1CCCC1
InChIInChI=1S/C33H37N7/c1-5-25(11-10-18-40-16-7-8-17-40)19-26(6-2)23(3)13-14-29-24(4)31(39-38-29)33-36-30-22-35-21-28(32(30)37-33)27-12-9-15-34-20-27/h5-6,9,12-15,19-22,38H,1,4,7-8,10-11,16-18H2,2-3H3,(H,36,37)/b23-13+,25-19+,26-6+,29-14+
InChIKeyPHPYBAIPHFIDOJ-MASAHGGNSA-N
XLogP5.48
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.71
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[(5E)-5-[(2E,4E,5Z)-6-ethenyl-4-ethylidene-3-methyl-9-pyrrolidin-1-ylnona-2,5-dienylidene]-4-methylidene-1H-pyrazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

2-[(5E)-4-methylidene-5-[(E)-3-(5-methyl-3-pyridinyl)but-2-enylidene]-1H-pyrazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine
CID 145248838
2-[5-[(2E,4E)-5-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine
CID 145037329
2-[(4E,5E)-4-[(Z,3E)-5-ethenyl-3-ethylidene-2-methylidene-8-pyrrolidin-1-yloct-4-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
CID 145033994
2-[(5E)-5-[(2E,4E,5Z)-4-ethylidene-3,6-dimethylocta-2,5,7-trienylidene]-4-methylidene-1H-pyrazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine
CID 145254285
5-[(2E,4E)-5-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-yl]-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 145254508
4-(3-fluorophenyl)-2-[(5E)-4-methylidene-5-[(E)-3-pyrazin-2-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-benzimidazole
CID 145249634
5-pyridin-4-yl-3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137110315
2-[(4E,5E)-5-ethylidene-4-[(3E,4E)-3-ethylidene-2-methylidene-5-(pyrrolidin-1-ylmethyl)hepta-4,6-dienylidene]-1H-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-benzimidazole
CID 145033240
2-[(5E)-4-methylidene-5-[(E)-3-(1-methylpyrazol-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine
CID 145244894
3-[7-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 145037228
(3E,5E)-5-[4-fluoro-3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)hepta-1,3,5-trien-3-amine
CID 145037833
N-propan-2-yl-5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137110153

Frequently Asked Questions

What is the IUPAC name of 2-[(5E)-5-[(2E,4E,5Z)-6-ethenyl-4-ethylidene-3-methyl-9-pyrrolidin-1-ylnona-2,5-dienylidene]-4-methylidene-1H-pyrazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[(5E)-5-[(2E,4E,5Z)-6-ethenyl-4-ethylidene-3-methyl-9-pyrrolidin-1-ylnona-2,5-dienylidene]-4-methylidene-1H-pyrazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine (CID 145248916) is 2-[(5E)-5-[(2E,4E,5Z)-6-ethenyl-4-ethylidene-3-methyl-9-pyrrolidin-1-ylnona-2,5-dienylidene]-4-methylidene-1H-pyrazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[(5E)-5-[(2E,4E,5Z)-6-ethenyl-4-ethylidene-3-methyl-9-pyrrolidin-1-ylnona-2,5-dienylidene]-4-methylidene-1H-pyrazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[(5E)-5-[(2E,4E,5Z)-6-ethenyl-4-ethylidene-3-methyl-9-pyrrolidin-1-ylnona-2,5-dienylidene]-4-methylidene-1H-pyrazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine is C=C/C(=C/C(=C\C)/C(C)=C/C=c1/[nH]nc(-c2nc3c(-c4cccnc4)cncc3[nH]2)c1=C)CCCN1CCCC1.
What is the InChIKey of 2-[(5E)-5-[(2E,4E,5Z)-6-ethenyl-4-ethylidene-3-methyl-9-pyrrolidin-1-ylnona-2,5-dienylidene]-4-methylidene-1H-pyrazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine?
The InChIKey is PHPYBAIPHFIDOJ-MASAHGGNSA-N. The full InChI is InChI=1S/C33H37N7/c1-5-25(11-10-18-40-16-7-8-17-40)19-26(6-2)23(3)13-14-29-24(4)31(39-38-29)33-36-30-22-35-21-28(32(30)37-33)27-12-9-15-34-20-27/h5-6,9,12-15,19-22,38H,1,4,7-8,10-11,16-18H2,2-3H3,(H,36,37)/b23-13+,25-19+,26-6+,29-14+.
What are the key properties of 2-[(5E)-5-[(2E,4E,5Z)-6-ethenyl-4-ethylidene-3-methyl-9-pyrrolidin-1-ylnona-2,5-dienylidene]-4-methylidene-1H-pyrazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine?
2-[(5E)-5-[(2E,4E,5Z)-6-ethenyl-4-ethylidene-3-methyl-9-pyrrolidin-1-ylnona-2,5-dienylidene]-4-methylidene-1H-pyrazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine has a molecular weight of 531.71 g/mol, XLogP of 5.48, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E)-5-[(2E,4E,5Z)-6-ethenyl-4-ethylidene-3-methyl-9-pyrrolidin-1-ylnona-2,5-dienylidene]-4-methylidene-1H-pyrazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145248916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).