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

C19H14F3N5 — CID 70708922

IUPACN-(pyridin-3-ylmethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESFC(F)(F)c1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)cn1
InChIInChI=1S/C19H14F3N5/c20-19(21,22)16-4-3-13(11-25-16)15-8-17(27-18-14(15)5-7-24-18)26-10-12-2-1-6-23-9-12/h1-9,11H,10H2,(H2,24,26,27)
InChIKeyGTRCUGBGPKSYRI-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.65
Rot. Bonds4

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

N-(pyridin-3-ylmethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 70708922) has the molecular formula C19H14F3N5 and a molecular weight of 369.35 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID70708922
Molecular FormulaC19H14F3N5
Molecular Weight369.35 g/mol
Exact Mass369.12
IUPAC NameN-(pyridin-3-ylmethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESFC(F)(F)c1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)cn1
InChIInChI=1S/C19H14F3N5/c20-19(21,22)16-4-3-13(11-25-16)15-8-17(27-18-14(15)5-7-24-18)26-10-12-2-1-6-23-9-12/h1-9,11H,10H2,(H2,24,26,27)
InChIKeyGTRCUGBGPKSYRI-UHFFFAOYSA-N
XLogP4.65
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(pyridin-3-ylmethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine with MolForge

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Related Compounds

4-(6-amino-3-pyridinyl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56907286
N-methyl-2-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide
CID 70775168
2-[[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methylsulfanyl]ethanol
CID 70760822
[2-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-pyridinyl]methanol
CID 56887832
[5-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indol-2-yl]methanol
CID 56910387
(1R)-1-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]butan-1-ol
CID 95876913
4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-carboxamide
CID 56901940
4-(4-methyl-3-pyridinyl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70754705
N-cyclopropyl-4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
CID 70778971
4-(6-amino-2-pyridinyl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56895349
N-(pyridin-3-ylmethyl)-4-(4,5,6-trimethyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56910898
(1R)-1-[6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]ethanol
CID 95721717

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 70708922) is N-(pyridin-3-ylmethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is FC(F)(F)c1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)cn1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is GTRCUGBGPKSYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5/c20-19(21,22)16-4-3-13(11-25-16)15-8-17(27-18-14(15)5-7-24-18)26-10-12-2-1-6-23-9-12/h1-9,11H,10H2,(H2,24,26,27).
What are the key properties of N-(pyridin-3-ylmethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-(pyridin-3-ylmethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 369.35 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 70708922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).