2-[5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine

C25H21N5S — CID 145308701

IUPAC2-[5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
SMILESC=C/C=C(C)\C(=C/C)c1ccc2[nH]nc(-c3nc4c(-c5ccsc5)cncc4[nH]3)c2c1
InChIInChI=1S/C25H21N5S/c1-4-6-15(3)18(5-2)16-7-8-21-19(11-16)24(30-29-21)25-27-22-13-26-12-20(23(22)28-25)17-9-10-31-14-17/h4-14H,1H2,2-3H3,(H,27,28)(H,29,30)/b15-6-,18-5+
InChIKeyRKTFWLRYXVGVAP-IVAJKEIBSA-N
MW423.55 g/mol
LogP6.77
Rot. Bonds5

About 2-[5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine

2-[5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine (PubChem CID 145308701) has the molecular formula C25H21N5S and a molecular weight of 423.55 g/mol. Its IUPAC name is 2-[5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
PubChem CID145308701
Molecular FormulaC25H21N5S
Molecular Weight423.55 g/mol
Exact Mass423.15
IUPAC Name2-[5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
SMILESC=C/C=C(C)\C(=C/C)c1ccc2[nH]nc(-c3nc4c(-c5ccsc5)cncc4[nH]3)c2c1
InChIInChI=1S/C25H21N5S/c1-4-6-15(3)18(5-2)16-7-8-21-19(11-16)24(30-29-21)25-27-22-13-26-12-20(23(22)28-25)17-9-10-31-14-17/h4-14H,1H2,2-3H3,(H,27,28)(H,29,30)/b15-6-,18-5+
InChIKeyRKTFWLRYXVGVAP-IVAJKEIBSA-N
XLogP6.77
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.55
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3E,5E)-N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]hepta-1,3,5-trien-3-amine
CID 145308080
2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 137311638
2-(5-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 136947287
N,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136946616
2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 137110531
N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 136643374
2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 137109924
3-methyl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
CID 136946578
5-[(3E)-3-[(5E)-5-ethylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine
CID 145037593
(2Z)-2-fluoro-N-methyl-2-[5-methylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]-1-pyrimidin-5-ylethanimine
CID 137292906
(3E,5E)-5-[3-(7-cyclopenta-1,4-dien-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N,N-dimethylhepta-1,3,5-trien-3-amine
CID 145308503
3-[(E)-2-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]prop-1-enyl]iminoprop-1-en-2-amine
CID 166866364

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine (CID 145308701) is 2-[5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine is C=C/C=C(C)\C(=C/C)c1ccc2[nH]nc(-c3nc4c(-c5ccsc5)cncc4[nH]3)c2c1.
What is the InChIKey of 2-[5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine?
The InChIKey is RKTFWLRYXVGVAP-IVAJKEIBSA-N. The full InChI is InChI=1S/C25H21N5S/c1-4-6-15(3)18(5-2)16-7-8-21-19(11-16)24(30-29-21)25-27-22-13-26-12-20(23(22)28-25)17-9-10-31-14-17/h4-14H,1H2,2-3H3,(H,27,28)(H,29,30)/b15-6-,18-5+.
What are the key properties of 2-[5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine?
2-[5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine has a molecular weight of 423.55 g/mol, XLogP of 6.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145308701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).