N-(2-fluoroethyl)-6-methyl-1-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide

C20H20F4N4O2 — CID 90466853

IUPACN-(2-fluoroethyl)-6-methyl-1-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCc1cnc2c(C(=O)NCCF)cn(Cc3nccc(OCC(F)(F)F)c3C)c2c1
InChIInChI=1S/C20H20F4N4O2/c1-12-7-16-18(27-8-12)14(19(29)26-6-4-21)9-28(16)10-15-13(2)17(3-5-25-15)30-11-20(22,23)24/h3,5,7-9H,4,6,10-11H2,1-2H3,(H,26,29)
InChIKeyCNOJPIYJFNHDHW-UHFFFAOYSA-N
MW424.40 g/mol
LogP3.74
Rot. Bonds7

About N-(2-fluoroethyl)-6-methyl-1-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide

N-(2-fluoroethyl)-6-methyl-1-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 90466853) has the molecular formula C20H20F4N4O2 and a molecular weight of 424.40 g/mol. Its IUPAC name is N-(2-fluoroethyl)-6-methyl-1-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-6-methyl-1-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID90466853
Molecular FormulaC20H20F4N4O2
Molecular Weight424.40 g/mol
Exact Mass424.15
IUPAC NameN-(2-fluoroethyl)-6-methyl-1-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCc1cnc2c(C(=O)NCCF)cn(Cc3nccc(OCC(F)(F)F)c3C)c2c1
InChIInChI=1S/C20H20F4N4O2/c1-12-7-16-18(27-8-12)14(19(29)26-6-4-21)9-28(16)10-15-13(2)17(3-5-25-15)30-11-20(22,23)24/h3,5,7-9H,4,6,10-11H2,1-2H3,(H,26,29)
InChIKeyCNOJPIYJFNHDHW-UHFFFAOYSA-N
XLogP3.74
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-fluoroethyl)-6-methyl-1-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-6-methyl-1-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-6-methyl-1-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (CID 90466853) is N-(2-fluoroethyl)-6-methyl-1-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-6-methyl-1-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-6-methyl-1-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is Cc1cnc2c(C(=O)NCCF)cn(Cc3nccc(OCC(F)(F)F)c3C)c2c1.
What is the InChIKey of N-(2-fluoroethyl)-6-methyl-1-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is CNOJPIYJFNHDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N4O2/c1-12-7-16-18(27-8-12)14(19(29)26-6-4-21)9-28(16)10-15-13(2)17(3-5-25-15)30-11-20(22,23)24/h3,5,7-9H,4,6,10-11H2,1-2H3,(H,26,29).
What are the key properties of N-(2-fluoroethyl)-6-methyl-1-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
N-(2-fluoroethyl)-6-methyl-1-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 424.40 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-6-methyl-1-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 90466853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).