5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine

C47H34N14O2 — CID 145034575

IUPAC5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6coc(-c7cc(-c8cncc(N)c8)cc8c(-c9nc%10c(-c%11ccoc%11)nccc%10[nH]9)n[nH]c78)c6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C47H34N14O2/c1-2-49-17-24-11-28(19-50-18-24)25-3-4-35-32(13-25)42(60-58-35)46-54-37-6-9-53-40(45(37)57-46)30-16-38(63-23-30)33-14-27(29-12-31(48)21-51-20-29)15-34-41(33)59-61-43(34)47-55-36-5-8-52-39(44(36)56-47)26-7-10-62-22-26/h3-16,18-23,49H,2,17,48H2,1H3,(H,54,57)(H,55,56)(H,58,60)(H,59,61)
InChIKeyJZTOLAUXRNPWQL-UHFFFAOYSA-N
MW826.89 g/mol
LogP9.32
Rot. Bonds10

About 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine

5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 145034575) has the molecular formula C47H34N14O2 and a molecular weight of 826.89 g/mol. Its IUPAC name is 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
PubChem CID145034575
Molecular FormulaC47H34N14O2
Molecular Weight826.89 g/mol
Exact Mass826.30
IUPAC Name5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6coc(-c7cc(-c8cncc(N)c8)cc8c(-c9nc%10c(-c%11ccoc%11)nccc%10[nH]9)n[nH]c78)c6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C47H34N14O2/c1-2-49-17-24-11-28(19-50-18-24)25-3-4-35-32(13-25)42(60-58-35)46-54-37-6-9-53-40(45(37)57-46)30-16-38(63-23-30)33-14-27(29-12-31(48)21-51-20-29)15-34-41(33)59-61-43(34)47-55-36-5-8-52-39(44(36)56-47)26-7-10-62-22-26/h3-16,18-23,49H,2,17,48H2,1H3,(H,54,57)(H,55,56)(H,58,60)(H,59,61)
InChIKeyJZTOLAUXRNPWQL-UHFFFAOYSA-N
XLogP9.32
TPSA230.61 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500826.89
LogP ≤ 59.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137014579
N-[[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136936605
N-[[5-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137019408
N-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137109258
N-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136509534
4-(furan-3-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136936919
N-[[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137134019
N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136509551
N-[[5-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137019421
N-[[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 136937185
4-(furan-3-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136936923
1-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 136509608

Frequently Asked Questions

What is the IUPAC name of 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
The IUPAC name of 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine (CID 145034575) is 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
The canonical SMILES for 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine is CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6coc(-c7cc(-c8cncc(N)c8)cc8c(-c9nc%10c(-c%11ccoc%11)nccc%10[nH]9)n[nH]c78)c6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
The InChIKey is JZTOLAUXRNPWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N14O2/c1-2-49-17-24-11-28(19-50-18-24)25-3-4-35-32(13-25)42(60-58-35)46-54-37-6-9-53-40(45(37)57-46)30-16-38(63-23-30)33-14-27(29-12-31(48)21-51-20-29)15-34-41(33)59-61-43(34)47-55-36-5-8-52-39(44(36)56-47)26-7-10-62-22-26/h3-16,18-23,49H,2,17,48H2,1H3,(H,54,57)(H,55,56)(H,58,60)(H,59,61).
What are the key properties of 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 826.89 g/mol, XLogP of 9.32, 10 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 145034575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).