N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide

C32H33FN10O — CID 137042081

IUPACN-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cc(F)cc(NCCN(C)C)c6)c5[nH]4)c3n2)c1
InChIInChI=1S/C32H33FN10O/c1-4-5-6-27(44)37-23-15-20(17-34-18-23)25-7-8-26-29(38-25)30(42-41-26)32-39-28-24(9-10-36-31(28)40-32)19-13-21(33)16-22(14-19)35-11-12-43(2)3/h7-10,13-18,35H,4-6,11-12H2,1-3H3,(H,37,44)(H,41,42)(H,36,39,40)
InChIKeyZXTXBZGRRKQJRB-UHFFFAOYSA-N
MW592.68 g/mol
LogP5.87
Rot. Bonds11

About N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide

N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide (PubChem CID 137042081) has the molecular formula C32H33FN10O and a molecular weight of 592.68 g/mol. Its IUPAC name is N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide.

Molecular Properties

Compound NameN-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide
PubChem CID137042081
Molecular FormulaC32H33FN10O
Molecular Weight592.68 g/mol
Exact Mass592.28
IUPAC NameN-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cc(F)cc(NCCN(C)C)c6)c5[nH]4)c3n2)c1
InChIInChI=1S/C32H33FN10O/c1-4-5-6-27(44)37-23-15-20(17-34-18-23)25-7-8-26-29(38-25)30(42-41-26)32-39-28-24(9-10-36-31(28)40-32)19-13-21(33)16-22(14-19)35-11-12-43(2)3/h7-10,13-18,35H,4-6,11-12H2,1-3H3,(H,37,44)(H,41,42)(H,36,39,40)
InChIKeyZXTXBZGRRKQJRB-UHFFFAOYSA-N
XLogP5.87
TPSA140.40 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.68
LogP ≤ 55.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide?
The IUPAC name of N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide (CID 137042081) is N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide.
What is the SMILES notation for N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide?
The canonical SMILES for N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide is CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cc(F)cc(NCCN(C)C)c6)c5[nH]4)c3n2)c1.
What is the InChIKey of N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide?
The InChIKey is ZXTXBZGRRKQJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN10O/c1-4-5-6-27(44)37-23-15-20(17-34-18-23)25-7-8-26-29(38-25)30(42-41-26)32-39-28-24(9-10-36-31(28)40-32)19-13-21(33)16-22(14-19)35-11-12-43(2)3/h7-10,13-18,35H,4-6,11-12H2,1-3H3,(H,37,44)(H,41,42)(H,36,39,40).
What are the key properties of N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide?
N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide has a molecular weight of 592.68 g/mol, XLogP of 5.87, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide is sourced from PubChem (CID 137042081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).