[4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol

C19H19F3N4O2 — CID 135331140

IUPAC[4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol
SMILESCc1[nH]c2ncc(-c3cccc(N4CCOCC4CO)n3)cc2c1C(F)(F)F
InChIInChI=1S/C19H19F3N4O2/c1-11-17(19(20,21)22)14-7-12(8-23-18(14)24-11)15-3-2-4-16(25-15)26-5-6-28-10-13(26)9-27/h2-4,7-8,13,27H,5-6,9-10H2,1H3,(H,23,24)
InChIKeyOZDUKVNEBFBMOR-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.15
Rot. Bonds3

About [4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol

[4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol (PubChem CID 135331140) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is [4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol
PubChem CID135331140
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name[4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol
SMILESCc1[nH]c2ncc(-c3cccc(N4CCOCC4CO)n3)cc2c1C(F)(F)F
InChIInChI=1S/C19H19F3N4O2/c1-11-17(19(20,21)22)14-7-12(8-23-18(14)24-11)15-3-2-4-16(25-15)26-5-6-28-10-13(26)9-27/h2-4,7-8,13,27H,5-6,9-10H2,1H3,(H,23,24)
InChIKeyOZDUKVNEBFBMOR-UHFFFAOYSA-N
XLogP3.15
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol?
The IUPAC name of [4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol (CID 135331140) is [4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol.
What is the SMILES notation for [4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol?
The canonical SMILES for [4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol is Cc1[nH]c2ncc(-c3cccc(N4CCOCC4CO)n3)cc2c1C(F)(F)F.
What is the InChIKey of [4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol?
The InChIKey is OZDUKVNEBFBMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-11-17(19(20,21)22)14-7-12(8-23-18(14)24-11)15-3-2-4-16(25-15)26-5-6-28-10-13(26)9-27/h2-4,7-8,13,27H,5-6,9-10H2,1H3,(H,23,24).
What are the key properties of [4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol?
[4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol has a molecular weight of 392.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol is sourced from PubChem (CID 135331140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).