5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-3H-imidazo[4,5-b]pyridin-7-yl]furan-2-yl]-1H-indazol-5-yl]pyridin-3-ol

C44H26N12O3 — CID 145036440

IUPAC5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-3H-imidazo[4,5-b]pyridin-7-yl]furan-2-yl]-1H-indazol-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2cc(-c3cc(-c4ccnc5[nH]c(-c6n[nH]c7ccc(-c8ccncc8)cc67)nc45)co3)c3[nH]nc(-c4nc5c(-c6ccoc6)ccnc5[nH]4)c3c2)c1
InChIInChI=1S/C44H26N12O3/c57-28-13-26(18-46-19-28)25-15-32(36-33(16-25)40(56-54-36)44-49-37-29(24-7-12-58-20-24)5-10-47-41(37)52-44)35-17-27(21-59-35)30-6-11-48-42-38(30)50-43(51-42)39-31-14-23(1-2-34(31)53-55-39)22-3-8-45-9-4-22/h1-21,57H,(H,53,55)(H,54,56)(H,47,49,52)(H,48,50,51)
InChIKeyGNAGJAYNGURBIO-UHFFFAOYSA-N
MW770.77 g/mol
LogP9.33
Rot. Bonds7

About 5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-3H-imidazo[4,5-b]pyridin-7-yl]furan-2-yl]-1H-indazol-5-yl]pyridin-3-ol

5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-3H-imidazo[4,5-b]pyridin-7-yl]furan-2-yl]-1H-indazol-5-yl]pyridin-3-ol (PubChem CID 145036440) has the molecular formula C44H26N12O3 and a molecular weight of 770.77 g/mol. Its IUPAC name is 5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-3H-imidazo[4,5-b]pyridin-7-yl]furan-2-yl]-1H-indazol-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-3H-imidazo[4,5-b]pyridin-7-yl]furan-2-yl]-1H-indazol-5-yl]pyridin-3-ol
PubChem CID145036440
Molecular FormulaC44H26N12O3
Molecular Weight770.77 g/mol
Exact Mass770.23
IUPAC Name5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-3H-imidazo[4,5-b]pyridin-7-yl]furan-2-yl]-1H-indazol-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2cc(-c3cc(-c4ccnc5[nH]c(-c6n[nH]c7ccc(-c8ccncc8)cc67)nc45)co3)c3[nH]nc(-c4nc5c(-c6ccoc6)ccnc5[nH]4)c3c2)c1
InChIInChI=1S/C44H26N12O3/c57-28-13-26(18-46-19-28)25-15-32(36-33(16-25)40(56-54-36)44-49-37-29(24-7-12-58-20-24)5-10-47-41(37)52-44)35-17-27(21-59-35)30-6-11-48-42-38(30)50-43(51-42)39-31-14-23(1-2-34(31)53-55-39)22-3-8-45-9-4-22/h1-21,57H,(H,53,55)(H,54,56)(H,47,49,52)(H,48,50,51)
InChIKeyGNAGJAYNGURBIO-UHFFFAOYSA-N
XLogP9.33
TPSA212.79 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500770.77
LogP ≤ 59.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-3H-imidazo[4,5-b]pyridin-7-yl]furan-2-yl]-1H-indazol-5-yl]pyridin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 25190977
3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 25222706
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46225574
3-((S)-2-amino-3-(2-chloro-1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 46226136
3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propyl)-1H-indole-2-carbonitrile
CID 46226137
3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propyl)-1H-indole-2-carboxamide
CID 46226156
(2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propan-2-amine
CID 46226417
7-(2-Furyl)-3-(5-indazolylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine
CID 21874662
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136944955
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46190876
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-amine
CID 46226077
(S)-3-(2-amino-3-(1H-indol-3-yl)propoxy)-6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)picolinonitrile
CID 46226095

Frequently Asked Questions

What is the IUPAC name of 5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-3H-imidazo[4,5-b]pyridin-7-yl]furan-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-3H-imidazo[4,5-b]pyridin-7-yl]furan-2-yl]-1H-indazol-5-yl]pyridin-3-ol (CID 145036440) is 5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-3H-imidazo[4,5-b]pyridin-7-yl]furan-2-yl]-1H-indazol-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-3H-imidazo[4,5-b]pyridin-7-yl]furan-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-3H-imidazo[4,5-b]pyridin-7-yl]furan-2-yl]-1H-indazol-5-yl]pyridin-3-ol is Oc1cncc(-c2cc(-c3cc(-c4ccnc5[nH]c(-c6n[nH]c7ccc(-c8ccncc8)cc67)nc45)co3)c3[nH]nc(-c4nc5c(-c6ccoc6)ccnc5[nH]4)c3c2)c1.
What is the InChIKey of 5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-3H-imidazo[4,5-b]pyridin-7-yl]furan-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The InChIKey is GNAGJAYNGURBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N12O3/c57-28-13-26(18-46-19-28)25-15-32(36-33(16-25)40(56-54-36)44-49-37-29(24-7-12-58-20-24)5-10-47-41(37)52-44)35-17-27(21-59-35)30-6-11-48-42-38(30)50-43(51-42)39-31-14-23(1-2-34(31)53-55-39)22-3-8-45-9-4-22/h1-21,57H,(H,53,55)(H,54,56)(H,47,49,52)(H,48,50,51).
What are the key properties of 5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-3H-imidazo[4,5-b]pyridin-7-yl]furan-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-3H-imidazo[4,5-b]pyridin-7-yl]furan-2-yl]-1H-indazol-5-yl]pyridin-3-ol has a molecular weight of 770.77 g/mol, XLogP of 9.33, 7 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-3H-imidazo[4,5-b]pyridin-7-yl]furan-2-yl]-1H-indazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 145036440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).