1,3,6-trimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide

C21H22F3N5O2 — CID 16621386

IUPAC1,3,6-trimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c2c(C)nn(C)c2n1
InChIInChI=1S/C21H22F3N5O2/c1-12-10-15(18-13(2)27-28(3)19(18)25-12)20(30)26-16-11-14(21(22,23)24)4-5-17(16)29-6-8-31-9-7-29/h4-5,10-11H,6-9H2,1-3H3,(H,26,30)
InChIKeyRXQCSPNNYOKLCF-UHFFFAOYSA-N
MW433.43 g/mol
LogP3.69
Rot. Bonds3

About 1,3,6-trimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide

1,3,6-trimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 16621386) has the molecular formula C21H22F3N5O2 and a molecular weight of 433.43 g/mol. Its IUPAC name is 1,3,6-trimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3,6-trimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID16621386
Molecular FormulaC21H22F3N5O2
Molecular Weight433.43 g/mol
Exact Mass433.17
IUPAC Name1,3,6-trimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c2c(C)nn(C)c2n1
InChIInChI=1S/C21H22F3N5O2/c1-12-10-15(18-13(2)27-28(3)19(18)25-12)20(30)26-16-11-14(21(22,23)24)4-5-17(16)29-6-8-31-9-7-29/h4-5,10-11H,6-9H2,1-3H3,(H,26,30)
InChIKeyRXQCSPNNYOKLCF-UHFFFAOYSA-N
XLogP3.69
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
6-cyclopropyl-1,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822712
3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzamide
CID 55616983
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 1081261
2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26880886
4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2093034
5-fluoro-1-hydroxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3H-2,1-benzoxaborole-6-carboxamide
CID 140761700
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092724
1-tert-butyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 78786583
3-(dimethylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2326651
(2R)-2-(2,4-dimethylimidazol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 92808243
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 16508845

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3,6-trimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide (CID 16621386) is 1,3,6-trimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3,6-trimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3,6-trimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c2c(C)nn(C)c2n1.
What is the InChIKey of 1,3,6-trimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is RXQCSPNNYOKLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O2/c1-12-10-15(18-13(2)27-28(3)19(18)25-12)20(30)26-16-11-14(21(22,23)24)4-5-17(16)29-6-8-31-9-7-29/h4-5,10-11H,6-9H2,1-3H3,(H,26,30).
What are the key properties of 1,3,6-trimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
1,3,6-trimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 433.43 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16621386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).