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

C34H28FN9O2 — CID 136937339

IUPACN-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
SMILESCN(C)CCOc1cc(F)cc(-c2ccnc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)c7ccccc7)c6)cc45)nc23)c1
InChIInChI=1S/C34H28FN9O2/c1-44(2)10-11-46-25-14-21(12-23(35)15-25)26-8-9-37-32-30(26)40-33(41-32)31-27-16-28(38-19-29(27)42-43-31)22-13-24(18-36-17-22)39-34(45)20-6-4-3-5-7-20/h3-9,12-19H,10-11H2,1-2H3,(H,39,45)(H,42,43)(H,37,40,41)
InChIKeyDXWMQLOZBUWSQZ-UHFFFAOYSA-N
MW613.66 g/mol
LogP5.96
Rot. Bonds9

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

N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide (PubChem CID 136937339) has the molecular formula C34H28FN9O2 and a molecular weight of 613.66 g/mol. Its IUPAC name is N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
PubChem CID136937339
Molecular FormulaC34H28FN9O2
Molecular Weight613.66 g/mol
Exact Mass613.23
IUPAC NameN-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
SMILESCN(C)CCOc1cc(F)cc(-c2ccnc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)c7ccccc7)c6)cc45)nc23)c1
InChIInChI=1S/C34H28FN9O2/c1-44(2)10-11-46-25-14-21(12-23(35)15-25)26-8-9-37-32-30(26)40-33(41-32)31-27-16-28(38-19-29(27)42-43-31)22-13-24(18-36-17-22)39-34(45)20-6-4-3-5-7-20/h3-9,12-19H,10-11H2,1-2H3,(H,39,45)(H,42,43)(H,37,40,41)
InChIKeyDXWMQLOZBUWSQZ-UHFFFAOYSA-N
XLogP5.96
TPSA137.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.66
LogP ≤ 55.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide (CID 136937339) is N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide is CN(C)CCOc1cc(F)cc(-c2ccnc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)c7ccccc7)c6)cc45)nc23)c1.
What is the InChIKey of N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide?
The InChIKey is DXWMQLOZBUWSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28FN9O2/c1-44(2)10-11-46-25-14-21(12-23(35)15-25)26-8-9-37-32-30(26)40-33(41-32)31-27-16-28(38-19-29(27)42-43-31)22-13-24(18-36-17-22)39-34(45)20-6-4-3-5-7-20/h3-9,12-19H,10-11H2,1-2H3,(H,39,45)(H,42,43)(H,37,40,41).
What are the key properties of N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide?
N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide has a molecular weight of 613.66 g/mol, XLogP of 5.96, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 136937339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).