1-[5-[2-[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone

C27H24N8O2S — CID 136944470

IUPAC1-[5-[2-[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OCCN(C)C)c6)cc45)nc23)s1
InChIInChI=1S/C27H24N8O2S/c1-15(36)22-4-5-23(38-22)26-25-19(6-7-29-26)31-27(32-25)24-18-11-20(30-14-21(18)33-34-24)16-10-17(13-28-12-16)37-9-8-35(2)3/h4-7,10-14H,8-9H2,1-3H3,(H,31,32)(H,33,34)
InChIKeyPQVULQHWWBHPGZ-UHFFFAOYSA-N
MW524.61 g/mol
LogP4.83
Rot. Bonds8

About 1-[5-[2-[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone

1-[5-[2-[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone (PubChem CID 136944470) has the molecular formula C27H24N8O2S and a molecular weight of 524.61 g/mol. Its IUPAC name is 1-[5-[2-[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
PubChem CID136944470
Molecular FormulaC27H24N8O2S
Molecular Weight524.61 g/mol
Exact Mass524.17
IUPAC Name1-[5-[2-[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OCCN(C)C)c6)cc45)nc23)s1
InChIInChI=1S/C27H24N8O2S/c1-15(36)22-4-5-23(38-22)26-25-19(6-7-29-26)31-27(32-25)24-18-11-20(30-14-21(18)33-34-24)16-10-17(13-28-12-16)37-9-8-35(2)3/h4-7,10-14H,8-9H2,1-3H3,(H,31,32)(H,33,34)
InChIKeyPQVULQHWWBHPGZ-UHFFFAOYSA-N
XLogP4.83
TPSA125.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.61
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[5-[2-[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[2-[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone (CID 136944470) is 1-[5-[2-[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[2-[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[2-[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OCCN(C)C)c6)cc45)nc23)s1.
What is the InChIKey of 1-[5-[2-[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone?
The InChIKey is PQVULQHWWBHPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8O2S/c1-15(36)22-4-5-23(38-22)26-25-19(6-7-29-26)31-27(32-25)24-18-11-20(30-14-21(18)33-34-24)16-10-17(13-28-12-16)37-9-8-35(2)3/h4-7,10-14H,8-9H2,1-3H3,(H,31,32)(H,33,34).
What are the key properties of 1-[5-[2-[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone?
1-[5-[2-[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone has a molecular weight of 524.61 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 136944470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).