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

C47H38N18 — CID 145034669

IUPAC5-[7-[[1-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]pyridin-3-amine
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-n6cnc(Cc7cc(-c8cncc(N)c8)cc8c(-c9nc%10c(-n%11cnc(C)c%11)nccc%10[nH]9)[nH]nc78)c6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C47H38N18/c1-3-49-16-26-10-30(18-50-17-26)27-4-5-36-34(14-27)40(62-60-36)44-56-38-7-9-53-47(43(38)58-44)65-22-33(55-24-65)13-29-11-28(31-12-32(48)20-51-19-31)15-35-39(29)61-63-41(35)45-57-37-6-8-52-46(42(37)59-45)64-21-25(2)54-23-64/h4-12,14-15,17-24,49H,3,13,16,48H2,1-2H3,(H,56,58)(H,57,59)(H,60,62)(H,61,63)
InChIKeyBMCGXNMWOGZGBL-UHFFFAOYSA-N
MW854.95 g/mol
LogP7.40
Rot. Bonds11

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

5-[7-[[1-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]pyridin-3-amine (PubChem CID 145034669) has the molecular formula C47H38N18 and a molecular weight of 854.95 g/mol. Its IUPAC name is 5-[7-[[1-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[7-[[1-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]pyridin-3-amine
PubChem CID145034669
Molecular FormulaC47H38N18
Molecular Weight854.95 g/mol
Exact Mass854.35
IUPAC Name5-[7-[[1-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]pyridin-3-amine
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-n6cnc(Cc7cc(-c8cncc(N)c8)cc8c(-c9nc%10c(-n%11cnc(C)c%11)nccc%10[nH]9)[nH]nc78)c6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C47H38N18/c1-3-49-16-26-10-30(18-50-17-26)27-4-5-36-34(14-27)40(62-60-36)44-56-38-7-9-53-47(43(38)58-44)65-22-33(55-24-65)13-29-11-28(31-12-32(48)20-51-19-31)15-35-39(29)61-63-41(35)45-57-37-6-8-52-46(42(37)59-45)64-21-25(2)54-23-64/h4-12,14-15,17-24,49H,3,13,16,48H2,1-2H3,(H,56,58)(H,57,59)(H,60,62)(H,61,63)
InChIKeyBMCGXNMWOGZGBL-UHFFFAOYSA-N
XLogP7.40
TPSA239.97 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500854.95
LogP ≤ 57.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

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

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Related Compounds

Ag-24322
CID 135413565
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-3-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11238677
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(2-phenylethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11456201
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11478841
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11478962
7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44187005
3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427
7-(2-Fluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836539
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
7-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836748
7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836749

Frequently Asked Questions

What is the IUPAC name of 5-[7-[[1-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]pyridin-3-amine?
The IUPAC name of 5-[7-[[1-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]pyridin-3-amine (CID 145034669) is 5-[7-[[1-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 5-[7-[[1-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]pyridin-3-amine?
The canonical SMILES for 5-[7-[[1-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]pyridin-3-amine is CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-n6cnc(Cc7cc(-c8cncc(N)c8)cc8c(-c9nc%10c(-n%11cnc(C)c%11)nccc%10[nH]9)[nH]nc78)c6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of 5-[7-[[1-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]pyridin-3-amine?
The InChIKey is BMCGXNMWOGZGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H38N18/c1-3-49-16-26-10-30(18-50-17-26)27-4-5-36-34(14-27)40(62-60-36)44-56-38-7-9-53-47(43(38)58-44)65-22-33(55-24-65)13-29-11-28(31-12-32(48)20-51-19-31)15-35-39(29)61-63-41(35)45-57-37-6-8-52-46(42(37)59-45)64-21-25(2)54-23-64/h4-12,14-15,17-24,49H,3,13,16,48H2,1-2H3,(H,56,58)(H,57,59)(H,60,62)(H,61,63).
What are the key properties of 5-[7-[[1-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]pyridin-3-amine?
5-[7-[[1-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]pyridin-3-amine has a molecular weight of 854.95 g/mol, XLogP of 7.40, 11 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[[1-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 145034669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).