N-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]-2-methylanilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2-thiophen-2-ylacetamide

C34H32FN7O2S — CID 16749932

IUPACN-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]-2-methylanilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2-thiophen-2-ylacetamide
SMILESCc1c(Nc2nccc(-c3c(-c4ccc(F)c(NC(=O)Cc5cccs5)c4)nn4ccccc34)n2)cccc1OCCN(C)C
InChIInChI=1S/C34H32FN7O2S/c1-22-26(9-6-11-30(22)44-18-17-41(2)3)38-34-36-15-14-27(39-34)32-29-10-4-5-16-42(29)40-33(32)23-12-13-25(35)28(20-23)37-31(43)21-24-8-7-19-45-24/h4-16,19-20H,17-18,21H2,1-3H3,(H,37,43)(H,36,38,39)
InChIKeyAOSMRLKZJLHAGT-UHFFFAOYSA-N
MW621.74 g/mol
LogP6.83
Rot. Bonds11

About N-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]-2-methylanilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2-thiophen-2-ylacetamide

N-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]-2-methylanilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2-thiophen-2-ylacetamide (PubChem CID 16749932) has the molecular formula C34H32FN7O2S and a molecular weight of 621.74 g/mol. Its IUPAC name is N-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]-2-methylanilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]-2-methylanilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2-thiophen-2-ylacetamide
PubChem CID16749932
Molecular FormulaC34H32FN7O2S
Molecular Weight621.74 g/mol
Exact Mass621.23
IUPAC NameN-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]-2-methylanilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2-thiophen-2-ylacetamide
SMILESCc1c(Nc2nccc(-c3c(-c4ccc(F)c(NC(=O)Cc5cccs5)c4)nn4ccccc34)n2)cccc1OCCN(C)C
InChIInChI=1S/C34H32FN7O2S/c1-22-26(9-6-11-30(22)44-18-17-41(2)3)38-34-36-15-14-27(39-34)32-29-10-4-5-16-42(29)40-33(32)23-12-13-25(35)28(20-23)37-31(43)21-24-8-7-19-45-24/h4-16,19-20H,17-18,21H2,1-3H3,(H,37,43)(H,36,38,39)
InChIKeyAOSMRLKZJLHAGT-UHFFFAOYSA-N
XLogP6.83
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.74
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]-2-methylanilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2-thiophen-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]-2-methylanilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]-2-methylanilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2-thiophen-2-ylacetamide (CID 16749932) is N-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]-2-methylanilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]-2-methylanilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]-2-methylanilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2-thiophen-2-ylacetamide is Cc1c(Nc2nccc(-c3c(-c4ccc(F)c(NC(=O)Cc5cccs5)c4)nn4ccccc34)n2)cccc1OCCN(C)C.
What is the InChIKey of N-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]-2-methylanilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2-thiophen-2-ylacetamide?
The InChIKey is AOSMRLKZJLHAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FN7O2S/c1-22-26(9-6-11-30(22)44-18-17-41(2)3)38-34-36-15-14-27(39-34)32-29-10-4-5-16-42(29)40-33(32)23-12-13-25(35)28(20-23)37-31(43)21-24-8-7-19-45-24/h4-16,19-20H,17-18,21H2,1-3H3,(H,37,43)(H,36,38,39).
What are the key properties of N-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]-2-methylanilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2-thiophen-2-ylacetamide?
N-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]-2-methylanilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2-thiophen-2-ylacetamide has a molecular weight of 621.74 g/mol, XLogP of 6.83, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[2-[3-[2-(dimethylamino)ethoxy]-2-methylanilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 16749932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).