N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole-4-carboxamide

C19H13ClF3N5O2 — CID 118335486

IUPACN-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12
InChIInChI=1S/C19H13ClF3N5O2/c1-10-13(9-30-27-10)18(29)25-17-16-14(20)6-24-7-15(16)28(26-17)8-11-2-4-12(5-3-11)19(21,22)23/h2-7,9H,8H2,1H3,(H,25,26,29)
InChIKeyXIMKNXMFMFHYKT-UHFFFAOYSA-N
MW435.79 g/mol
LogP4.70
Rot. Bonds4

About N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole-4-carboxamide

N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 118335486) has the molecular formula C19H13ClF3N5O2 and a molecular weight of 435.79 g/mol. Its IUPAC name is N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID118335486
Molecular FormulaC19H13ClF3N5O2
Molecular Weight435.79 g/mol
Exact Mass435.07
IUPAC NameN-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12
InChIInChI=1S/C19H13ClF3N5O2/c1-10-13(9-30-27-10)18(29)25-17-16-14(20)6-24-7-15(16)28(26-17)8-11-2-4-12(5-3-11)19(21,22)23/h2-7,9H,8H2,1H3,(H,25,26,29)
InChIKeyXIMKNXMFMFHYKT-UHFFFAOYSA-N
XLogP4.70
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.79
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 118537186
N-[1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 129203011
N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 118335328
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide
CID 118335335
3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide
CID 118335403
3-methyl-N-[1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide
CID 118335409
N-[5-cyano-1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 118335497
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide
CID 118335504
3-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridin-3-yl]-1,2-oxazole-4-carboxamide
CID 118335588
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 118453551
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 118463418
N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 118466754

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole-4-carboxamide (CID 118335486) is N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=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]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is XIMKNXMFMFHYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N5O2/c1-10-13(9-30-27-10)18(29)25-17-16-14(20)6-24-7-15(16)28(26-17)8-11-2-4-12(5-3-11)19(21,22)23/h2-7,9H,8H2,1H3,(H,25,26,29).
What are the key properties of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 435.79 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 118335486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).