N-(5-chloro-2-methoxyphenyl)-2-[6-(2-hydroxyethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]acetamide

C18H20ClF3N4O3 — CID 66874412

IUPACN-(5-chloro-2-methoxyphenyl)-2-[6-(2-hydroxyethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CN(CCO)CC2
InChIInChI=1S/C18H20ClF3N4O3/c1-29-15-3-2-11(19)8-13(15)23-16(28)10-26-14-9-25(6-7-27)5-4-12(14)17(24-26)18(20,21)22/h2-3,8,27H,4-7,9-10H2,1H3,(H,23,28)
InChIKeyDNJFOBHRUMQRLL-UHFFFAOYSA-N
MW432.83 g/mol
LogP2.55
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-[6-(2-hydroxyethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[6-(2-hydroxyethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]acetamide (PubChem CID 66874412) has the molecular formula C18H20ClF3N4O3 and a molecular weight of 432.83 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[6-(2-hydroxyethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[6-(2-hydroxyethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]acetamide
PubChem CID66874412
Molecular FormulaC18H20ClF3N4O3
Molecular Weight432.83 g/mol
Exact Mass432.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[6-(2-hydroxyethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CN(CCO)CC2
InChIInChI=1S/C18H20ClF3N4O3/c1-29-15-3-2-11(19)8-13(15)23-16(28)10-26-14-9-25(6-7-27)5-4-12(14)17(24-26)18(20,21)22/h2-3,8,27H,4-7,9-10H2,1H3,(H,23,28)
InChIKeyDNJFOBHRUMQRLL-UHFFFAOYSA-N
XLogP2.55
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.83
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 1129711
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CID 19527312
N-[4-chloro-2-(trifluoromethoxy)phenyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 87187053
N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 2242183
N-(5-chloro-2-methoxyphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 60585239
N-(5-chloro-2-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 75466080
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CID 175651518
N-(5-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115647977
2-[4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 29162746
4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[6-(2-hydroxyethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[6-(2-hydroxyethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]acetamide (CID 66874412) is N-(5-chloro-2-methoxyphenyl)-2-[6-(2-hydroxyethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[6-(2-hydroxyethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[6-(2-hydroxyethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]acetamide is COc1ccc(Cl)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CN(CCO)CC2.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[6-(2-hydroxyethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]acetamide?
The InChIKey is DNJFOBHRUMQRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF3N4O3/c1-29-15-3-2-11(19)8-13(15)23-16(28)10-26-14-9-25(6-7-27)5-4-12(14)17(24-26)18(20,21)22/h2-3,8,27H,4-7,9-10H2,1H3,(H,23,28).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[6-(2-hydroxyethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[6-(2-hydroxyethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]acetamide has a molecular weight of 432.83 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[6-(2-hydroxyethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]acetamide is sourced from PubChem (CID 66874412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).