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

C20H18N6 — CID 145038409

IUPAC3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESC=C/C=C(C)\C(=C/C)c1cnc2n[nH]c(-c3nc4ncccc4[nH]3)c2c1
InChIInChI=1S/C20H18N6/c1-4-7-12(3)14(5-2)13-10-15-17(25-26-18(15)22-11-13)20-23-16-8-6-9-21-19(16)24-20/h4-11H,1H2,2-3H3,(H,21,23,24)(H,22,25,26)/b12-7-,14-5+
InChIKeyBXGIIPNFPHOLJI-FPOLAJIXSA-N
MW342.41 g/mol
LogP4.43
Rot. Bonds4

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

3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 145038409) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID145038409
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESC=C/C=C(C)\C(=C/C)c1cnc2n[nH]c(-c3nc4ncccc4[nH]3)c2c1
InChIInChI=1S/C20H18N6/c1-4-7-12(3)14(5-2)13-10-15-17(25-26-18(15)22-11-13)20-23-16-8-6-9-21-19(16)24-20/h4-11H,1H2,2-3H3,(H,21,23,24)(H,22,25,26)/b12-7-,14-5+
InChIKeyBXGIIPNFPHOLJI-FPOLAJIXSA-N
XLogP4.43
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.43
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

3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137056909
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137056894
5-[(2E)-penta-2,4-dien-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 129074750
5-(3-methyl-6-methylideneocta-2,4-dien-4-yl)-3-[4-(4-propan-2-ylazepan-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137128779
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137056908
N-methyl-2-[5-[(2E,4Z)-5-(methylideneamino)-5-(propanoylamino)penta-2,4-dien-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide
CID 138626224
3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridine
CID 145038002
N-[5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137055333
4-pyridin-2-yl-2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136945578
5-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-amine
CID 135995622
(2E,4E)-2-ethenyl-N-ethyl-4-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]hexa-2,4-dien-1-amine
CID 145038265
(2E,4E)-2-ethenyl-N-ethyl-4-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]hexa-2,4-dien-1-amine
CID 145245467

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-2H-pyrazolo[3,4-b]pyridine (CID 145038409) is 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-2H-pyrazolo[3,4-b]pyridine is C=C/C=C(C)\C(=C/C)c1cnc2n[nH]c(-c3nc4ncccc4[nH]3)c2c1.
What is the InChIKey of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is BXGIIPNFPHOLJI-FPOLAJIXSA-N. The full InChI is InChI=1S/C20H18N6/c1-4-7-12(3)14(5-2)13-10-15-17(25-26-18(15)22-11-13)20-23-16-8-6-9-21-19(16)24-20/h4-11H,1H2,2-3H3,(H,21,23,24)(H,22,25,26)/b12-7-,14-5+.
What are the key properties of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-2H-pyrazolo[3,4-b]pyridine?
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 342.41 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 145038409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).