2-(dimethylamino)-N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide

C33H33FN8O2 — CID 137033326

IUPAC2-(dimethylamino)-N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide
SMILESCN(C)CCOc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cccc(NC(=O)CN(C)C)c6)cc45)cc23)c1
InChIInChI=1S/C33H33FN8O2/c1-41(2)8-9-44-24-12-21(10-22(34)13-24)27-16-35-17-30-25(27)14-29(38-30)33-26-15-28(36-18-31(26)39-40-33)20-6-5-7-23(11-20)37-32(43)19-42(3)4/h5-7,10-18,38H,8-9,19H2,1-4H3,(H,37,43)(H,39,40)
InChIKeyHCIAVMGODPXTNO-UHFFFAOYSA-N
MW592.68 g/mol
LogP5.41
Rot. Bonds10

About 2-(dimethylamino)-N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide

2-(dimethylamino)-N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide (PubChem CID 137033326) has the molecular formula C33H33FN8O2 and a molecular weight of 592.68 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide
PubChem CID137033326
Molecular FormulaC33H33FN8O2
Molecular Weight592.68 g/mol
Exact Mass592.27
IUPAC Name2-(dimethylamino)-N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide
SMILESCN(C)CCOc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cccc(NC(=O)CN(C)C)c6)cc45)cc23)c1
InChIInChI=1S/C33H33FN8O2/c1-41(2)8-9-44-24-12-21(10-22(34)13-24)27-16-35-17-30-25(27)14-29(38-30)33-26-15-28(36-18-31(26)39-40-33)20-6-5-7-23(11-20)37-32(43)19-42(3)4/h5-7,10-18,38H,8-9,19H2,1-4H3,(H,37,43)(H,39,40)
InChIKeyHCIAVMGODPXTNO-UHFFFAOYSA-N
XLogP5.41
TPSA115.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.68
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(dimethylamino)-N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide (CID 137033326) is 2-(dimethylamino)-N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide is CN(C)CCOc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cccc(NC(=O)CN(C)C)c6)cc45)cc23)c1.
What is the InChIKey of 2-(dimethylamino)-N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide?
The InChIKey is HCIAVMGODPXTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33FN8O2/c1-41(2)8-9-44-24-12-21(10-22(34)13-24)27-16-35-17-30-25(27)14-29(38-30)33-26-15-28(36-18-31(26)39-40-33)20-6-5-7-23(11-20)37-32(43)19-42(3)4/h5-7,10-18,38H,8-9,19H2,1-4H3,(H,37,43)(H,39,40).
What are the key properties of 2-(dimethylamino)-N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide?
2-(dimethylamino)-N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide has a molecular weight of 592.68 g/mol, XLogP of 5.41, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide is sourced from PubChem (CID 137033326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).