[1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol

C19H16F3N5O2 — CID 138680100

IUPAC[1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol
SMILESCCCn1cc(CO)c2cc(-c3cc(-c4noc(C(F)(F)F)n4)ccn3)ncc21
InChIInChI=1S/C19H16F3N5O2/c1-2-5-27-9-12(10-28)13-7-15(24-8-16(13)27)14-6-11(3-4-23-14)17-25-18(29-26-17)19(20,21)22/h3-4,6-9,28H,2,5,10H2,1H3
InChIKeyOFJPHCYHXODSBF-UHFFFAOYSA-N
MW403.36 g/mol
LogP4.07
Rot. Bonds5

About [1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol

[1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol (PubChem CID 138680100) has the molecular formula C19H16F3N5O2 and a molecular weight of 403.36 g/mol. Its IUPAC name is [1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol
PubChem CID138680100
Molecular FormulaC19H16F3N5O2
Molecular Weight403.36 g/mol
Exact Mass403.13
IUPAC Name[1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol
SMILESCCCn1cc(CO)c2cc(-c3cc(-c4noc(C(F)(F)F)n4)ccn3)ncc21
InChIInChI=1S/C19H16F3N5O2/c1-2-5-27-9-12(10-28)13-7-15(24-8-16(13)27)14-6-11(3-4-23-14)17-25-18(29-26-17)19(20,21)22/h3-4,6-9,28H,2,5,10H2,1H3
InChIKeyOFJPHCYHXODSBF-UHFFFAOYSA-N
XLogP4.07
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol?
The IUPAC name of [1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol (CID 138680100) is [1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol.
What is the SMILES notation for [1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol?
The canonical SMILES for [1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol is CCCn1cc(CO)c2cc(-c3cc(-c4noc(C(F)(F)F)n4)ccn3)ncc21.
What is the InChIKey of [1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol?
The InChIKey is OFJPHCYHXODSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2/c1-2-5-27-9-12(10-28)13-7-15(24-8-16(13)27)14-6-11(3-4-23-14)17-25-18(29-26-17)19(20,21)22/h3-4,6-9,28H,2,5,10H2,1H3.
What are the key properties of [1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol?
[1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol has a molecular weight of 403.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol is sourced from PubChem (CID 138680100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).