(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

C23H24N6 — CID 145245467

IUPAC(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
SMILESC=C/C(=C\C(=C/C)c1cnc2n[nH]c(-c3cc4ncccc4[nH]3)c2c1)CNCC
InChIInChI=1S/C23H24N6/c1-4-15(13-24-6-3)10-16(5-2)17-11-18-22(28-29-23(18)26-14-17)21-12-20-19(27-21)8-7-9-25-20/h4-5,7-12,14,24,27H,1,6,13H2,2-3H3,(H,26,28,29)/b15-10+,16-5+
InChIKeyJBWIKZQOOVIBCM-GROWMMOMSA-N
MW384.49 g/mol
LogP4.63
Rot. Bonds7

About (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

(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 (PubChem CID 145245467) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID145245467
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC Name(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
SMILESC=C/C(=C\C(=C/C)c1cnc2n[nH]c(-c3cc4ncccc4[nH]3)c2c1)CNCC
InChIInChI=1S/C23H24N6/c1-4-15(13-24-6-3)10-16(5-2)17-11-18-22(28-29-23(18)26-14-17)21-12-20-19(27-21)8-7-9-25-20/h4-5,7-12,14,24,27H,1,6,13H2,2-3H3,(H,26,28,29)/b15-10+,16-5+
InChIKeyJBWIKZQOOVIBCM-GROWMMOMSA-N
XLogP4.63
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

N-[3-[2-[5-[(2E,4E)-5-(ethylaminomethyl)hepta-2,4,6-trien-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 145248592
(2E,4E)-N-(cyclopentylmethyl)-2-ethenyl-4-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]hexa-2,4-dien-1-amine
CID 145247083
(2E,4E)-N-benzyl-2-ethenyl-4-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]hexa-2,4-dien-1-amine
CID 145248546
(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
(3E,5E)-N-hex-1-en-2-yl-5-[3-(1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine
CID 145245496
5-[(2E,4E,6S)-1-(3,3-difluoropyrrolidin-1-yl)-2,6-dimethylocta-2,4,7-trien-4-yl]-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 162598525
(2E,4E)-2-ethenyl-N,N-dimethyl-4-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]hexa-2,4-dien-1-amine
CID 145247182
(2E,4E)-2-ethenyl-N-ethyl-4-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]hexa-2,4-dien-1-amine
CID 145252181
(3E,5E)-N-(1-cyclobutylethenyl)-5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine
CID 154654848
5-(1H-pyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137041146
(3E,5E)-N,N-dimethyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine
CID 145248326
1-phenyl-N-[[3-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]methanamine
CID 137087622

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C/C(=C\C(=C/C)c1cnc2n[nH]c(-c3cc4ncccc4[nH]3)c2c1)CNCC.
What is the InChIKey of (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?
The InChIKey is JBWIKZQOOVIBCM-GROWMMOMSA-N. The full InChI is InChI=1S/C23H24N6/c1-4-15(13-24-6-3)10-16(5-2)17-11-18-22(28-29-23(18)26-14-17)21-12-20-19(27-21)8-7-9-25-20/h4-5,7-12,14,24,27H,1,6,13H2,2-3H3,(H,26,28,29)/b15-10+,16-5+.
What are the key properties of (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?
(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 has a molecular weight of 384.49 g/mol, XLogP of 4.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 145245467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).