4-[3-[[5-[3-[7-(diethylcarbamoyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]-2-methyl-3-oxopropyl]-N,N-diethyl-2-[5-[6-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide

C51H50N18O4 — CID 137092433

IUPAC4-[3-[[5-[3-[7-(diethylcarbamoyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]-2-methyl-3-oxopropyl]-N,N-diethyl-2-[5-[6-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide
SMILESCCC(=O)Nc1ccc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N(CC)CC)cnc(CC(C)C(=O)Nc6cncc(-c7cnc8n[nH]c(-c9nc%10c(C(=O)N(CC)CC)cncc%10[nH]9)c8c7)c6)c5[nH]4)c3c2)cn1
InChIInChI=1S/C51H50N18O4/c1-7-39(70)60-38-13-12-27(19-55-38)29-16-32-43(65-67-45(32)56-20-29)48-62-41-35(51(73)69(10-4)11-5)24-54-36(44(41)63-48)14-26(6)49(71)58-31-15-28(18-52-22-31)30-17-33-42(64-66-46(33)57-21-30)47-59-37-25-53-23-34(40(37)61-47)50(72)68(8-2)9-3/h12-13,15-26H,7-11,14H2,1-6H3,(H,58,71)(H,59,61)(H,62,63)(H,55,60,70)(H,56,65,67)(H,57,64,66)
InChIKeyAPQBHJJLPIULCX-UHFFFAOYSA-N
MW979.08 g/mol
LogP7.36
Rot. Bonds16

About 4-[3-[[5-[3-[7-(diethylcarbamoyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]-2-methyl-3-oxopropyl]-N,N-diethyl-2-[5-[6-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide

4-[3-[[5-[3-[7-(diethylcarbamoyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]-2-methyl-3-oxopropyl]-N,N-diethyl-2-[5-[6-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide (PubChem CID 137092433) has the molecular formula C51H50N18O4 and a molecular weight of 979.08 g/mol. Its IUPAC name is 4-[3-[[5-[3-[7-(diethylcarbamoyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]-2-methyl-3-oxopropyl]-N,N-diethyl-2-[5-[6-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-[3-[[5-[3-[7-(diethylcarbamoyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]-2-methyl-3-oxopropyl]-N,N-diethyl-2-[5-[6-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide
PubChem CID137092433
Molecular FormulaC51H50N18O4
Molecular Weight979.08 g/mol
Exact Mass978.43
IUPAC Name4-[3-[[5-[3-[7-(diethylcarbamoyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]-2-methyl-3-oxopropyl]-N,N-diethyl-2-[5-[6-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide
SMILESCCC(=O)Nc1ccc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N(CC)CC)cnc(CC(C)C(=O)Nc6cncc(-c7cnc8n[nH]c(-c9nc%10c(C(=O)N(CC)CC)cncc%10[nH]9)c8c7)c6)c5[nH]4)c3c2)cn1
InChIInChI=1S/C51H50N18O4/c1-7-39(70)60-38-13-12-27(19-55-38)29-16-32-43(65-67-45(32)56-20-29)48-62-41-35(51(73)69(10-4)11-5)24-54-36(44(41)63-48)14-26(6)49(71)58-31-15-28(18-52-22-31)30-17-33-42(64-66-46(33)57-21-30)47-59-37-25-53-23-34(40(37)61-47)50(72)68(8-2)9-3/h12-13,15-26H,7-11,14H2,1-6H3,(H,58,71)(H,59,61)(H,62,63)(H,55,60,70)(H,56,65,67)(H,57,64,66)
InChIKeyAPQBHJJLPIULCX-UHFFFAOYSA-N
XLogP7.36
TPSA290.88 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms73
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500979.08
LogP ≤ 57.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 4-[3-[[5-[3-[7-(diethylcarbamoyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]-2-methyl-3-oxopropyl]-N,N-diethyl-2-[5-[6-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide with MolForge

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[4-(3-pyridin-2-ylpyrazol-1-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 59729307
N,N-diethyl-2-(5-(isoquinolin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzo[d]imidazole-4-carboxamide
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PROTAC CDK2/9 Degrader-1
CID 145925673
US9834554, Example 10
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N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-1H-pyrrolo[2,3-b] pyridine-3-carboxamide
CID 118538696
1-(4-benzoylpiperazin-1-yl)-2-[7-(triazolo[4,5-b]pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
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3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 90683933
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
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CID 90683964
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[5-[3-[7-(diethylcarbamoyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]-2-methyl-3-oxopropyl]-N,N-diethyl-2-[5-[6-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide?
The IUPAC name of 4-[3-[[5-[3-[7-(diethylcarbamoyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]-2-methyl-3-oxopropyl]-N,N-diethyl-2-[5-[6-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide (CID 137092433) is 4-[3-[[5-[3-[7-(diethylcarbamoyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]-2-methyl-3-oxopropyl]-N,N-diethyl-2-[5-[6-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-[3-[[5-[3-[7-(diethylcarbamoyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]-2-methyl-3-oxopropyl]-N,N-diethyl-2-[5-[6-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide?
The canonical SMILES for 4-[3-[[5-[3-[7-(diethylcarbamoyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]-2-methyl-3-oxopropyl]-N,N-diethyl-2-[5-[6-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide is CCC(=O)Nc1ccc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N(CC)CC)cnc(CC(C)C(=O)Nc6cncc(-c7cnc8n[nH]c(-c9nc%10c(C(=O)N(CC)CC)cncc%10[nH]9)c8c7)c6)c5[nH]4)c3c2)cn1.
What is the InChIKey of 4-[3-[[5-[3-[7-(diethylcarbamoyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]-2-methyl-3-oxopropyl]-N,N-diethyl-2-[5-[6-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide?
The InChIKey is APQBHJJLPIULCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H50N18O4/c1-7-39(70)60-38-13-12-27(19-55-38)29-16-32-43(65-67-45(32)56-20-29)48-62-41-35(51(73)69(10-4)11-5)24-54-36(44(41)63-48)14-26(6)49(71)58-31-15-28(18-52-22-31)30-17-33-42(64-66-46(33)57-21-30)47-59-37-25-53-23-34(40(37)61-47)50(72)68(8-2)9-3/h12-13,15-26H,7-11,14H2,1-6H3,(H,58,71)(H,59,61)(H,62,63)(H,55,60,70)(H,56,65,67)(H,57,64,66).
What are the key properties of 4-[3-[[5-[3-[7-(diethylcarbamoyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]-2-methyl-3-oxopropyl]-N,N-diethyl-2-[5-[6-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide?
4-[3-[[5-[3-[7-(diethylcarbamoyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]-2-methyl-3-oxopropyl]-N,N-diethyl-2-[5-[6-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide has a molecular weight of 979.08 g/mol, XLogP of 7.36, 16 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[5-[3-[7-(diethylcarbamoyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]-2-methyl-3-oxopropyl]-N,N-diethyl-2-[5-[6-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide is sourced from PubChem (CID 137092433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).