(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

C25H21N7 — CID 145251935

IUPAC(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
SMILESC=C/C(N)=C\C(=C/C)c1ccc2[nH]nc(-c3cc4c(-c5cccnc5)ccnc4[nH]3)c2n1
InChIInChI=1S/C25H21N7/c1-3-15(12-17(26)4-2)20-7-8-21-23(29-20)24(32-31-21)22-13-19-18(9-11-28-25(19)30-22)16-6-5-10-27-14-16/h3-14H,2,26H2,1H3,(H,28,30)(H,31,32)/b15-3+,17-12+
InChIKeySAFXORLXTKWMCX-HCILKPCVSA-N
MW419.49 g/mol
LogP5.00
Rot. Bonds5

About (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

(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 (PubChem CID 145251935) has the molecular formula C25H21N7 and a molecular weight of 419.49 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID145251935
Molecular FormulaC25H21N7
Molecular Weight419.49 g/mol
Exact Mass419.19
IUPAC Name(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
SMILESC=C/C(N)=C\C(=C/C)c1ccc2[nH]nc(-c3cc4c(-c5cccnc5)ccnc4[nH]3)c2n1
InChIInChI=1S/C25H21N7/c1-3-15(12-17(26)4-2)20-7-8-21-23(29-20)24(32-31-21)22-13-19-18(9-11-28-25(19)30-22)16-6-5-10-27-14-16/h3-14H,2,26H2,1H3,(H,28,30)(H,31,32)/b15-3+,17-12+
InChIKeySAFXORLXTKWMCX-HCILKPCVSA-N
XLogP5.00
TPSA109.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137489194
N'-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanimidamide
CID 145251945
(3E,5E)-5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine
CID 145254310
5-pyridin-3-yl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137489326
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
N-[3-[2-[5-[(2E,4E)-5-aminohepta-2,4,6-trien-3-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 145254363
5-[(2E,4E)-5-[(3,3-difluoropyrrolidin-1-yl)methyl]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 154655034
5-pyridin-4-yl-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137038198
1-[5-[2-(5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137488872
3-methyl-N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137489234
N-[(1E,3Z)-2-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]penta-1,3-dienyl]methanimine
CID 137087096
5-(5-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 145251780

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C/C(N)=C\C(=C/C)c1ccc2[nH]nc(-c3cc4c(-c5cccnc5)ccnc4[nH]3)c2n1.
What is the InChIKey of (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?
The InChIKey is SAFXORLXTKWMCX-HCILKPCVSA-N. The full InChI is InChI=1S/C25H21N7/c1-3-15(12-17(26)4-2)20-7-8-21-23(29-20)24(32-31-21)22-13-19-18(9-11-28-25(19)30-22)16-6-5-10-27-14-16/h3-14H,2,26H2,1H3,(H,28,30)(H,31,32)/b15-3+,17-12+.
What are the key properties of (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?
(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 has a molecular weight of 419.49 g/mol, XLogP of 5.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 145251935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).