2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine

C25H21N7 — CID 145033863

IUPAC2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine
SMILESC=C/C(C)=C\C(=C/C)c1cc2c(-c3nc4c(-c5cccnc5)nccc4[nH]3)n[nH]c2cn1
InChIInChI=1S/C25H21N7/c1-4-15(3)11-16(5-2)20-12-18-21(14-28-20)31-32-23(18)25-29-19-8-10-27-22(24(19)30-25)17-7-6-9-26-13-17/h4-14H,1H2,2-3H3,(H,29,30)(H,31,32)/b15-11-,16-5+
InChIKeyWMKDVTGBSVDGOY-CQGWPRJYSA-N
MW419.49 g/mol
LogP5.49
Rot. Bonds5

About 2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine

2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine (PubChem CID 145033863) has the molecular formula C25H21N7 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine
PubChem CID145033863
Molecular FormulaC25H21N7
Molecular Weight419.49 g/mol
Exact Mass419.19
IUPAC Name2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine
SMILESC=C/C(C)=C\C(=C/C)c1cc2c(-c3nc4c(-c5cccnc5)nccc4[nH]3)n[nH]c2cn1
InChIInChI=1S/C25H21N7/c1-4-15(3)11-16(5-2)20-12-18-21(14-28-20)31-32-23(18)25-29-19-8-10-27-22(24(19)30-25)17-7-6-9-26-13-17/h4-14H,1H2,2-3H3,(H,29,30)(H,31,32)/b15-11-,16-5+
InChIKeyWMKDVTGBSVDGOY-CQGWPRJYSA-N
XLogP5.49
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.49
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

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
4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 137019318
2-(6-fluoro-5-pyridin-3-yl-1H-indazol-3-yl)-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine
CID 136936034
2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
CID 136943680
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
2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine
CID 145033515
3-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
CID 137308906
(3E,5E)-5-[4-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)hepta-1,3,5-trien-3-amine
CID 145034279
(3E,5E)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine
CID 145251935
(3E,5E)-N-propan-2-yl-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine
CID 145244776
5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137103161
4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine
CID 159182817

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine (CID 145033863) is 2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine is C=C/C(C)=C\C(=C/C)c1cc2c(-c3nc4c(-c5cccnc5)nccc4[nH]3)n[nH]c2cn1.
What is the InChIKey of 2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine?
The InChIKey is WMKDVTGBSVDGOY-CQGWPRJYSA-N. The full InChI is InChI=1S/C25H21N7/c1-4-15(3)11-16(5-2)20-12-18-21(14-28-20)31-32-23(18)25-29-19-8-10-27-22(24(19)30-25)17-7-6-9-26-13-17/h4-14H,1H2,2-3H3,(H,29,30)(H,31,32)/b15-11-,16-5+.
What are the key properties of 2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine?
2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine has a molecular weight of 419.49 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145033863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).