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

C16H15F3N4O — CID 56894873

IUPACN-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCOCCNc1cc(-c2cc(C(F)(F)F)ccn2)c2cc[nH]c2n1
InChIInChI=1S/C16H15F3N4O/c1-24-7-6-21-14-9-12(11-3-5-22-15(11)23-14)13-8-10(2-4-20-13)16(17,18)19/h2-5,8-9H,6-7H2,1H3,(H2,21,22,23)
InChIKeyDPURNBGBXJTFIB-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.70
Rot. Bonds5

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

N-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56894873) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID56894873
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC NameN-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCOCCNc1cc(-c2cc(C(F)(F)F)ccn2)c2cc[nH]c2n1
InChIInChI=1S/C16H15F3N4O/c1-24-7-6-21-14-9-12(11-3-5-22-15(11)23-14)13-8-10(2-4-20-13)16(17,18)19/h2-5,8-9H,6-7H2,1H3,(H2,21,22,23)
InChIKeyDPURNBGBXJTFIB-UHFFFAOYSA-N
XLogP3.70
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56894873) is N-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is COCCNc1cc(-c2cc(C(F)(F)F)ccn2)c2cc[nH]c2n1.
What is the InChIKey of N-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is DPURNBGBXJTFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c1-24-7-6-21-14-9-12(11-3-5-22-15(11)23-14)13-8-10(2-4-20-13)16(17,18)19/h2-5,8-9H,6-7H2,1H3,(H2,21,22,23).
What are the key properties of N-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 336.32 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56894873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).