N-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine

C14H11F3N4 — CID 56916569

IUPACN-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCNc1cc(-c2cccc(C(F)(F)F)n2)c2cc[nH]c2n1
InChIInChI=1S/C14H11F3N4/c1-18-12-7-9(8-5-6-19-13(8)21-12)10-3-2-4-11(20-10)14(15,16)17/h2-7H,1H3,(H2,18,19,21)
InChIKeyBZQPRJAJZKNIDC-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.69
Rot. Bonds2

About N-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine

N-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56916569) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID56916569
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC NameN-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCNc1cc(-c2cccc(C(F)(F)F)n2)c2cc[nH]c2n1
InChIInChI=1S/C14H11F3N4/c1-18-12-7-9(8-5-6-19-13(8)21-12)10-3-2-4-11(20-10)14(15,16)17/h2-7H,1H3,(H2,18,19,21)
InChIKeyBZQPRJAJZKNIDC-UHFFFAOYSA-N
XLogP3.69
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56910762
N-methyl-4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56910474
4-isoquinolin-4-yl-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70762148
5-[6-(methylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione
CID 56916433
4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56899228
3-methyl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]butanamide
CID 126537583
N-(pyridin-3-ylmethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70708922
N-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56911434
N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56906336
4-[4-(2-amino-1H-imidazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56893895
2-(1H-imidazol-2-yl)-6-(trifluoromethyl)pyridine
CID 141380652
2-[[4-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]ethanol
CID 56893138

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56916569) is N-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is CNc1cc(-c2cccc(C(F)(F)F)n2)c2cc[nH]c2n1.
What is the InChIKey of N-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is BZQPRJAJZKNIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c1-18-12-7-9(8-5-6-19-13(8)21-12)10-3-2-4-11(20-10)14(15,16)17/h2-7H,1H3,(H2,18,19,21).
What are the key properties of N-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 292.26 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56916569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).