(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

C24H22N8 — CID 145254310

IUPAC(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
SMILESC=C/C(N)=C\C(=C/C)c1ccc2[nH]nc(-c3cc4c(-n5cnc(C)c5)cncc4[nH]3)c2n1
InChIInChI=1S/C24H22N8/c1-4-15(8-16(25)5-2)18-6-7-19-23(29-18)24(31-30-19)20-9-17-21(28-20)10-26-11-22(17)32-12-14(3)27-13-32/h4-13,28H,2,25H2,1,3H3,(H,30,31)/b15-4+,16-8+
InChIKeyVOOIVGMJOAUUGB-KIEZTBNLSA-N
MW422.50 g/mol
LogP4.43
Rot. Bonds5

About (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

(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 (PubChem CID 145254310) has the molecular formula C24H22N8 and a molecular weight of 422.50 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID145254310
Molecular FormulaC24H22N8
Molecular Weight422.50 g/mol
Exact Mass422.20
IUPAC Name(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
SMILESC=C/C(N)=C\C(=C/C)c1ccc2[nH]nc(-c3cc4c(-n5cnc(C)c5)cncc4[nH]3)c2n1
InChIInChI=1S/C24H22N8/c1-4-15(8-16(25)5-2)18-6-7-19-23(29-18)24(31-30-19)20-9-17-21(28-20)10-26-11-22(17)32-12-14(3)27-13-32/h4-13,28H,2,25H2,1,3H3,(H,30,31)/b15-4+,16-8+
InChIKeyVOOIVGMJOAUUGB-KIEZTBNLSA-N
XLogP4.43
TPSA114.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(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)-5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-pent-1-en-2-ylhepta-1,3,5-trien-3-amine
CID 145246109
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-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine
CID 137112100
(3E,5E)-N-(4,4-dimethylpent-1-en-2-yl)-5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine
CID 145248679
N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137112484
(3E,5E)-N-hex-1-en-2-yl-5-[3-(4-piperidin-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 145254419
(4E,6E)-6-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]octa-4,6-dien-2-yn-4-amine
CID 145254429
3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine
CID 137114763
5-[(2E,4Z)-5-ethylhepta-2,4,6-trien-3-yl]-3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine
CID 145254288
5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137489065
(3E,5E)-5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-pent-1-en-2-ylhepta-1,3,5-trien-3-amine
CID 145254449

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C/C(N)=C\C(=C/C)c1ccc2[nH]nc(-c3cc4c(-n5cnc(C)c5)cncc4[nH]3)c2n1.
What is the InChIKey of (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?
The InChIKey is VOOIVGMJOAUUGB-KIEZTBNLSA-N. The full InChI is InChI=1S/C24H22N8/c1-4-15(8-16(25)5-2)18-6-7-19-23(29-18)24(31-30-19)20-9-17-21(28-20)10-26-11-22(17)32-12-14(3)27-13-32/h4-13,28H,2,25H2,1,3H3,(H,30,31)/b15-4+,16-8+.
What are the key properties of (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?
(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 has a molecular weight of 422.50 g/mol, XLogP of 4.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 145254310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).