3-(6-methyl-2-pyridinyl)-N-[6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]propanamide

C17H16F3N5O — CID 46960117

IUPAC3-(6-methyl-2-pyridinyl)-N-[6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]propanamide
SMILESCc1cccc(CCC(=O)Nc2n[nH]c3nc(C)cc(C(F)(F)F)c23)n1
InChIInChI=1S/C17H16F3N5O/c1-9-4-3-5-11(21-9)6-7-13(26)23-16-14-12(17(18,19)20)8-10(2)22-15(14)24-25-16/h3-5,8H,6-7H2,1-2H3,(H2,22,23,24,25,26)
InChIKeyMLKRYVJZHGNFNG-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.56
Rot. Bonds4

About 3-(6-methyl-2-pyridinyl)-N-[6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]propanamide

3-(6-methyl-2-pyridinyl)-N-[6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]propanamide (PubChem CID 46960117) has the molecular formula C17H16F3N5O and a molecular weight of 363.34 g/mol. Its IUPAC name is 3-(6-methyl-2-pyridinyl)-N-[6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]propanamide.

Molecular Properties

Compound Name3-(6-methyl-2-pyridinyl)-N-[6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]propanamide
PubChem CID46960117
Molecular FormulaC17H16F3N5O
Molecular Weight363.34 g/mol
Exact Mass363.13
IUPAC Name3-(6-methyl-2-pyridinyl)-N-[6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]propanamide
SMILESCc1cccc(CCC(=O)Nc2n[nH]c3nc(C)cc(C(F)(F)F)c23)n1
InChIInChI=1S/C17H16F3N5O/c1-9-4-3-5-11(21-9)6-7-13(26)23-16-14-12(17(18,19)20)8-10(2)22-15(14)24-25-16/h3-5,8H,6-7H2,1-2H3,(H2,22,23,24,25,26)
InChIKeyMLKRYVJZHGNFNG-UHFFFAOYSA-N
XLogP3.56
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2-pyridinyl)-N-[6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]propanamide?
The IUPAC name of 3-(6-methyl-2-pyridinyl)-N-[6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]propanamide (CID 46960117) is 3-(6-methyl-2-pyridinyl)-N-[6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]propanamide.
What is the SMILES notation for 3-(6-methyl-2-pyridinyl)-N-[6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]propanamide?
The canonical SMILES for 3-(6-methyl-2-pyridinyl)-N-[6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]propanamide is Cc1cccc(CCC(=O)Nc2n[nH]c3nc(C)cc(C(F)(F)F)c23)n1.
What is the InChIKey of 3-(6-methyl-2-pyridinyl)-N-[6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]propanamide?
The InChIKey is MLKRYVJZHGNFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O/c1-9-4-3-5-11(21-9)6-7-13(26)23-16-14-12(17(18,19)20)8-10(2)22-15(14)24-25-16/h3-5,8H,6-7H2,1-2H3,(H2,22,23,24,25,26).
What are the key properties of 3-(6-methyl-2-pyridinyl)-N-[6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]propanamide?
3-(6-methyl-2-pyridinyl)-N-[6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]propanamide has a molecular weight of 363.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-pyridinyl)-N-[6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]propanamide is sourced from PubChem (CID 46960117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).