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

C14H11F3N4 — CID 56910762

IUPACN-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCNc1cc(-c2cc(C(F)(F)F)ccn2)c2cc[nH]c2n1
InChIInChI=1S/C14H11F3N4/c1-18-12-7-10(9-3-5-20-13(9)21-12)11-6-8(2-4-19-11)14(15,16)17/h2-7H,1H3,(H2,18,20,21)
InChIKeyOMEXPYMEQOEQLK-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.69
Rot. Bonds2

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

N-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56910762) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID56910762
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC NameN-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCNc1cc(-c2cc(C(F)(F)F)ccn2)c2cc[nH]c2n1
InChIInChI=1S/C14H11F3N4/c1-18-12-7-10(9-3-5-20-13(9)21-12)11-6-8(2-4-19-11)14(15,16)17/h2-7H,1H3,(H2,18,20,21)
InChIKeyOMEXPYMEQOEQLK-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-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56916569
N-methyl-4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56910474
N-methyl-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 175492104
5-[6-(methylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione
CID 56916433
N-piperidin-4-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56883354
4-isoquinolin-4-yl-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70762148
4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56899228
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 15952108
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
N-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56911434
2-(2-fluorophenyl)-4-(trifluoromethyl)pyridine
CID 175224381

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56910762) is N-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is CNc1cc(-c2cc(C(F)(F)F)ccn2)c2cc[nH]c2n1.
What is the InChIKey of N-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is OMEXPYMEQOEQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c1-18-12-7-10(9-3-5-20-13(9)21-12)11-6-8(2-4-19-11)14(15,16)17/h2-7H,1H3,(H2,18,20,21).
What are the key properties of N-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-methyl-4-[4-(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-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56910762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).