N-(2-chloro-6-methyl-4-pyridinyl)-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]acetamide

C17H16ClF3N6O — CID 159697697

IUPACN-(2-chloro-6-methyl-4-pyridinyl)-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]acetamide
SMILESCc1cc(NC(=O)CNc2cc(C(F)(F)F)c3c(C)nn(C)c3n2)cc(Cl)n1
InChIInChI=1S/C17H16ClF3N6O/c1-8-4-10(5-12(18)23-8)24-14(28)7-22-13-6-11(17(19,20)21)15-9(2)26-27(3)16(15)25-13/h4-6H,7H2,1-3H3,(H,22,25)(H,23,24,28)
InChIKeyAJZXEOUNXZZQLX-UHFFFAOYSA-N
MW412.80 g/mol
LogP3.70
Rot. Bonds4

About N-(2-chloro-6-methyl-4-pyridinyl)-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]acetamide

N-(2-chloro-6-methyl-4-pyridinyl)-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]acetamide (PubChem CID 159697697) has the molecular formula C17H16ClF3N6O and a molecular weight of 412.80 g/mol. Its IUPAC name is N-(2-chloro-6-methyl-4-pyridinyl)-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-6-methyl-4-pyridinyl)-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]acetamide
PubChem CID159697697
Molecular FormulaC17H16ClF3N6O
Molecular Weight412.80 g/mol
Exact Mass412.10
IUPAC NameN-(2-chloro-6-methyl-4-pyridinyl)-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]acetamide
SMILESCc1cc(NC(=O)CNc2cc(C(F)(F)F)c3c(C)nn(C)c3n2)cc(Cl)n1
InChIInChI=1S/C17H16ClF3N6O/c1-8-4-10(5-12(18)23-8)24-14(28)7-22-13-6-11(17(19,20)21)15-9(2)26-27(3)16(15)25-13/h4-6H,7H2,1-3H3,(H,22,25)(H,23,24,28)
InChIKeyAJZXEOUNXZZQLX-UHFFFAOYSA-N
XLogP3.70
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.80
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Jte 013
CID 10223146
N1-(3-chlorophenyl)-2-(1,3,4-trimethyl-1H-pyrazolo[3,4-b]pyridin-6-yl)hydrazine-1-carboxamide
CID 2820402
(S)-2-(1-methyl-3-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-ylamino)-N-(1-phenylethyl)acetamide
CID 70817059
1-(2,6-Dichloro-4-pyridinyl)-3-[[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]urea
CID 168270200
1-(2,6-Dichloro-4-pyridinyl)-3-[(1-methyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)amino]urea
CID 168288692
1-(2,6-Dichloro-4-pyridinyl)-3-[[1-methyl-4-propyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]urea
CID 168289718
1-(2,6-Dichloro-4-pyridinyl)-3-[[4-(4-fluorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl]amino]urea
CID 168296010
US9815842, Example 107
CID 118540148
N-{4-[3-(2-Chloro-benzyl)-5-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ylamino]-phenyl}-acetamide
CID 3228227
1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 16008300
N-[2-(4-Chlorophenyl)ethyl]-3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-B]pyridin-5-YL}propanamide
CID 16012484
N-(2-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetamide
CID 90656196

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methyl-4-pyridinyl)-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]acetamide?
The IUPAC name of N-(2-chloro-6-methyl-4-pyridinyl)-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]acetamide (CID 159697697) is N-(2-chloro-6-methyl-4-pyridinyl)-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]acetamide.
What is the SMILES notation for N-(2-chloro-6-methyl-4-pyridinyl)-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]acetamide?
The canonical SMILES for N-(2-chloro-6-methyl-4-pyridinyl)-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]acetamide is Cc1cc(NC(=O)CNc2cc(C(F)(F)F)c3c(C)nn(C)c3n2)cc(Cl)n1.
What is the InChIKey of N-(2-chloro-6-methyl-4-pyridinyl)-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]acetamide?
The InChIKey is AJZXEOUNXZZQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N6O/c1-8-4-10(5-12(18)23-8)24-14(28)7-22-13-6-11(17(19,20)21)15-9(2)26-27(3)16(15)25-13/h4-6H,7H2,1-3H3,(H,22,25)(H,23,24,28).
What are the key properties of N-(2-chloro-6-methyl-4-pyridinyl)-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]acetamide?
N-(2-chloro-6-methyl-4-pyridinyl)-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]acetamide has a molecular weight of 412.80 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methyl-4-pyridinyl)-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]acetamide is sourced from PubChem (CID 159697697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).