N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]butanamide

C18H16ClF3N4O — CID 118453550

IUPACN-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]butanamide
SMILESCCCC(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12
InChIInChI=1S/C18H16ClF3N4O/c1-2-3-15(27)24-17-16-13(19)8-23-9-14(16)26(25-17)10-11-4-6-12(7-5-11)18(20,21)22/h4-9H,2-3,10H2,1H3,(H,24,25,27)
InChIKeyKPYKFZHOYQUJMB-UHFFFAOYSA-N
MW396.80 g/mol
LogP4.89
Rot. Bonds5

About N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]butanamide

N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]butanamide (PubChem CID 118453550) has the molecular formula C18H16ClF3N4O and a molecular weight of 396.80 g/mol. Its IUPAC name is N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]butanamide.

Molecular Properties

Compound NameN-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]butanamide
PubChem CID118453550
Molecular FormulaC18H16ClF3N4O
Molecular Weight396.80 g/mol
Exact Mass396.10
IUPAC NameN-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]butanamide
SMILESCCCC(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12
InChIInChI=1S/C18H16ClF3N4O/c1-2-3-15(27)24-17-16-13(19)8-23-9-14(16)26(25-17)10-11-4-6-12(7-5-11)18(20,21)22/h4-9H,2-3,10H2,1H3,(H,24,25,27)
InChIKeyKPYKFZHOYQUJMB-UHFFFAOYSA-N
XLogP4.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.80
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide
CID 118453543
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide
CID 118335555
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide
CID 118335335
4-chloro-N-(pyridazin-3-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine
CID 146329941
N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide
CID 129202997
N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide
CID 118335401
N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]butanamide
CID 19392878
4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide
CID 118326010
methyl 7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-4-carboxylate
CID 162609625
5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxylic acid
CID 162444700
N-[4,6-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-3,3-dimethylbutanamide
CID 25191231
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide
CID 113035472

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]butanamide?
The IUPAC name of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]butanamide (CID 118453550) is N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]butanamide.
What is the SMILES notation for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]butanamide?
The canonical SMILES for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]butanamide is CCCC(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.
What is the InChIKey of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]butanamide?
The InChIKey is KPYKFZHOYQUJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N4O/c1-2-3-15(27)24-17-16-13(19)8-23-9-14(16)26(25-17)10-11-4-6-12(7-5-11)18(20,21)22/h4-9H,2-3,10H2,1H3,(H,24,25,27).
What are the key properties of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]butanamide?
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]butanamide has a molecular weight of 396.80 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]butanamide is sourced from PubChem (CID 118453550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).