N-(1-adamantyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide

C23H27F3N4O — CID 19505673

IUPACN-(1-adamantyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
SMILESCc1nn(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2nc(C3CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C23H27F3N4O/c1-12-20-17(23(24,25)26)7-18(16-2-3-16)27-21(20)30(29-12)11-19(31)28-22-8-13-4-14(9-22)6-15(5-13)10-22/h7,13-16H,2-6,8-11H2,1H3,(H,28,31)
InChIKeyBZDADCBGAYOLAR-UHFFFAOYSA-N
MW432.49 g/mol
LogP4.72
Rot. Bonds4

About N-(1-adamantyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide

N-(1-adamantyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide (PubChem CID 19505673) has the molecular formula C23H27F3N4O and a molecular weight of 432.49 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
PubChem CID19505673
Molecular FormulaC23H27F3N4O
Molecular Weight432.49 g/mol
Exact Mass432.21
IUPAC NameN-(1-adamantyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
SMILESCc1nn(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2nc(C3CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C23H27F3N4O/c1-12-20-17(23(24,25)26)7-18(16-2-3-16)27-21(20)30(29-12)11-19(31)28-22-8-13-4-14(9-22)6-15(5-13)10-22/h7,13-16H,2-6,8-11H2,1H3,(H,28,31)
InChIKeyBZDADCBGAYOLAR-UHFFFAOYSA-N
XLogP4.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide
CID 19505821
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 19505723
N,N-dicyclohexyl-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19505658
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 19505739
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19505663
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 19505761
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide
CID 19505830
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[(1R)-1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide
CID 29091639
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19505664
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[2-(difluoromethoxy)-4-methylphenyl]acetamide
CID 19505802
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 19505754
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide
CID 19505798

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide (CID 19505673) is N-(1-adamantyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide is Cc1nn(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2nc(C3CC3)cc(C(F)(F)F)c12.
What is the InChIKey of N-(1-adamantyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide?
The InChIKey is BZDADCBGAYOLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O/c1-12-20-17(23(24,25)26)7-18(16-2-3-16)27-21(20)30(29-12)11-19(31)28-22-8-13-4-14(9-22)6-15(5-13)10-22/h7,13-16H,2-6,8-11H2,1H3,(H,28,31).
What are the key properties of N-(1-adamantyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide?
N-(1-adamantyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide has a molecular weight of 432.49 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 19505673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).