N-(2,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide

C19H18F3N3O3 — CID 92594692

IUPACN-(2,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCn2c(C(F)(F)F)cc3cccnc32)c1
InChIInChI=1S/C19H18F3N3O3/c1-27-13-5-6-15(28-2)14(11-13)24-17(26)7-9-25-16(19(20,21)22)10-12-4-3-8-23-18(12)25/h3-6,8,10-11H,7,9H2,1-2H3,(H,24,26)
InChIKeyLKEZVRBBSHOHOV-UHFFFAOYSA-N
MW393.37 g/mol
LogP4.10
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide

N-(2,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide (PubChem CID 92594692) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
PubChem CID92594692
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC NameN-(2,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCn2c(C(F)(F)F)cc3cccnc32)c1
InChIInChI=1S/C19H18F3N3O3/c1-27-13-5-6-15(28-2)14(11-13)24-17(26)7-9-25-16(19(20,21)22)10-12-4-3-8-23-18(12)25/h3-6,8,10-11H,7,9H2,1-2H3,(H,24,26)
InChIKeyLKEZVRBBSHOHOV-UHFFFAOYSA-N
XLogP4.10
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide (CID 92594692) is N-(2,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide is COc1ccc(OC)c(NC(=O)CCn2c(C(F)(F)F)cc3cccnc32)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide?
The InChIKey is LKEZVRBBSHOHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c1-27-13-5-6-15(28-2)14(11-13)24-17(26)7-9-25-16(19(20,21)22)10-12-4-3-8-23-18(12)25/h3-6,8,10-11H,7,9H2,1-2H3,(H,24,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide?
N-(2,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide has a molecular weight of 393.37 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide is sourced from PubChem (CID 92594692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).