N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide

C35H36FN9O2 — CID 136937068

IUPACN-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
SMILESCN(C)CCOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC7CCNCC7)c6)cc45)nc23)c1
InChIInChI=1S/C35H36FN9O2/c1-45(2)11-12-47-27-16-23(14-25(36)18-27)32-34-30(7-10-39-32)41-35(42-34)33-28-17-22(3-4-29(28)43-44-33)24-15-26(20-38-19-24)40-31(46)13-21-5-8-37-9-6-21/h3-4,7,10,14-21,37H,5-6,8-9,11-13H2,1-2H3,(H,40,46)(H,41,42)(H,43,44)
InChIKeyJXXQLHXKKLRPJU-UHFFFAOYSA-N
MW633.73 g/mol
LogP5.64
Rot. Bonds10

About N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide

N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide (PubChem CID 136937068) has the molecular formula C35H36FN9O2 and a molecular weight of 633.73 g/mol. Its IUPAC name is N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
PubChem CID136937068
Molecular FormulaC35H36FN9O2
Molecular Weight633.73 g/mol
Exact Mass633.30
IUPAC NameN-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
SMILESCN(C)CCOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC7CCNCC7)c6)cc45)nc23)c1
InChIInChI=1S/C35H36FN9O2/c1-45(2)11-12-47-27-16-23(14-25(36)18-27)32-34-30(7-10-39-32)41-35(42-34)33-28-17-22(3-4-29(28)43-44-33)24-15-26(20-38-19-24)40-31(46)13-21-5-8-37-9-6-21/h3-4,7,10,14-21,37H,5-6,8-9,11-13H2,1-2H3,(H,40,46)(H,41,42)(H,43,44)
InChIKeyJXXQLHXKKLRPJU-UHFFFAOYSA-N
XLogP5.64
TPSA136.74 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.73
LogP ≤ 55.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide with MolForge

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Related Compounds

2-[3-[9-methyl-6-[4-(1H-pyrazol-4-yl)anilino]purin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 124159195
3-(4-fluoro-1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135227299
3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135227324
3-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(pyridin-2-ylmethoxy)-1H-indazole
CID 137133154
3-[7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
CID 137042194
2-[[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 137054927
3-[7-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
CID 137110541
N-[5-[3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137142996
3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137143002
US20230271949, Example 134
CID 168678487
2-[3-[1-methyl-7-[4-(1H-pyrazol-4-yl)anilino]pyrazolo[4,5-d]pyrimidin-5-yl]phenoxy]-N-propan-2-ylacetamide
CID 124159145
US10030016, Example 53
CID 67086108

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide?
The IUPAC name of N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide (CID 136937068) is N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide is CN(C)CCOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC7CCNCC7)c6)cc45)nc23)c1.
What is the InChIKey of N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide?
The InChIKey is JXXQLHXKKLRPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36FN9O2/c1-45(2)11-12-47-27-16-23(14-25(36)18-27)32-34-30(7-10-39-32)41-35(42-34)33-28-17-22(3-4-29(28)43-44-33)24-15-26(20-38-19-24)40-31(46)13-21-5-8-37-9-6-21/h3-4,7,10,14-21,37H,5-6,8-9,11-13H2,1-2H3,(H,40,46)(H,41,42)(H,43,44).
What are the key properties of N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide?
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide has a molecular weight of 633.73 g/mol, XLogP of 5.64, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 136937068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).