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

C25H21N7 — CID 145248838

IUPAC2-[(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
SMILESC=c1c(-c2nc3c(-c4cccnc4)cncc3[nH]2)n[nH]/c1=C/C=C(\C)c1cncc(C)c1
InChIInChI=1S/C25H21N7/c1-15-9-19(12-27-10-15)16(2)6-7-21-17(3)23(32-31-21)25-29-22-14-28-13-20(24(22)30-25)18-5-4-8-26-11-18/h4-14,31H,3H2,1-2H3,(H,29,30)/b16-6+,21-7+
InChIKeyCVOIDUDDCNABBM-OLDOFIBDSA-N
MW419.49 g/mol
LogP3.41
Rot. Bonds4

About 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

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 (PubChem CID 145248838) has the molecular formula C25H21N7 and a molecular weight of 419.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID145248838
Molecular FormulaC25H21N7
Molecular Weight419.49 g/mol
Exact Mass419.19
IUPAC Name2-[(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
SMILESC=c1c(-c2nc3c(-c4cccnc4)cncc3[nH]2)n[nH]/c1=C/C=C(\C)c1cncc(C)c1
InChIInChI=1S/C25H21N7/c1-15-9-19(12-27-10-15)16(2)6-7-21-17(3)23(32-31-21)25-29-22-14-28-13-20(24(22)30-25)18-5-4-8-26-11-18/h4-14,31H,3H2,1-2H3,(H,29,30)/b16-6+,21-7+
InChIKeyCVOIDUDDCNABBM-OLDOFIBDSA-N
XLogP3.41
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
4-(3-fluorophenyl)-2-[(5E)-4-methylidene-5-[(E)-3-pyrazin-2-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-benzimidazole
CID 145249634
4-(3-fluoro-5-methylphenyl)-2-[(5E)-4-methylidene-5-[(E)-3-pyridin-4-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 145245170
N-methylidene-N'-[(E)-2-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]methanimidamide
CID 137232592
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
3-methyl-5-[(E,4E)-4-[4-methylidene-3-[5-methyl-4-[(1E)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazol-5-ylidene]but-2-en-2-yl]pyridine
CID 145251613
2-(5-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine
CID 137172694
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
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
N-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137110728
N-(3-cyclohexylprop-1-en-2-yl)-5-[(E,4E)-4-[4-methylidene-3-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazol-5-ylidene]but-2-en-2-yl]pyridin-3-amine;ethane
CID 145252916
N-[[5-[(E,4E)-4-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-methylidene-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 145253420

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=c1c(-c2nc3c(-c4cccnc4)cncc3[nH]2)n[nH]/c1=C/C=C(\C)c1cncc(C)c1.
What is the InChIKey of 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?
The InChIKey is CVOIDUDDCNABBM-OLDOFIBDSA-N. The full InChI is InChI=1S/C25H21N7/c1-15-9-19(12-27-10-15)16(2)6-7-21-17(3)23(32-31-21)25-29-22-14-28-13-20(24(22)30-25)18-5-4-8-26-11-18/h4-14,31H,3H2,1-2H3,(H,29,30)/b16-6+,21-7+.
What are the key properties of 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?
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 has a molecular weight of 419.49 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145248838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).