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

C25H33F3N4O — CID 19505658

IUPACN,N-dicyclohexyl-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
SMILESCc1nn(CC(=O)N(C2CCCCC2)C2CCCCC2)c2nc(C3CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C25H33F3N4O/c1-16-23-20(25(26,27)28)14-21(17-12-13-17)29-24(23)31(30-16)15-22(33)32(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h14,17-19H,2-13,15H2,1H3
InChIKeyXOEKLGZJWZVRNJ-UHFFFAOYSA-N
MW462.56 g/mol
LogP6.13
Rot. Bonds5

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

N,N-dicyclohexyl-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide (PubChem CID 19505658) has the molecular formula C25H33F3N4O and a molecular weight of 462.56 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
PubChem CID19505658
Molecular FormulaC25H33F3N4O
Molecular Weight462.56 g/mol
Exact Mass462.26
IUPAC NameN,N-dicyclohexyl-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
SMILESCc1nn(CC(=O)N(C2CCCCC2)C2CCCCC2)c2nc(C3CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C25H33F3N4O/c1-16-23-20(25(26,27)28)14-21(17-12-13-17)29-24(23)31(30-16)15-22(33)32(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h14,17-19H,2-13,15H2,1H3
InChIKeyXOEKLGZJWZVRNJ-UHFFFAOYSA-N
XLogP6.13
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.56
LogP ≤ 56.13
H-Bond Donors ≤ 50
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
N-(1-adamantyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19505673
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
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-[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,N-dicyclohexyl-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501895
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
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]-1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 19505833
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[2-(difluoromethoxy)-4-methylphenyl]acetamide
CID 19505802

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide?
The IUPAC name of N,N-dicyclohexyl-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide (CID 19505658) is N,N-dicyclohexyl-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide is Cc1nn(CC(=O)N(C2CCCCC2)C2CCCCC2)c2nc(C3CC3)cc(C(F)(F)F)c12.
What is the InChIKey of N,N-dicyclohexyl-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide?
The InChIKey is XOEKLGZJWZVRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F3N4O/c1-16-23-20(25(26,27)28)14-21(17-12-13-17)29-24(23)31(30-16)15-22(33)32(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h14,17-19H,2-13,15H2,1H3.
What are the key properties of N,N-dicyclohexyl-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide?
N,N-dicyclohexyl-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide has a molecular weight of 462.56 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 19505658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).