1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide

C19H23FN6O2 — CID 90467160

IUPAC1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1cnc2c(C(=O)NCCF)cn(Cc3ncnc(N(C)C)c3C)c2c1
InChIInChI=1S/C19H23FN6O2/c1-12-15(23-11-24-18(12)25(2)3)10-26-9-14(19(27)21-6-5-20)17-16(26)7-13(28-4)8-22-17/h7-9,11H,5-6,10H2,1-4H3,(H,21,27)
InChIKeyBTQWUAZFDIYUMA-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.96
Rot. Bonds7

About 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide

1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 90467160) has the molecular formula C19H23FN6O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID90467160
Molecular FormulaC19H23FN6O2
Molecular Weight386.43 g/mol
Exact Mass386.19
IUPAC Name1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1cnc2c(C(=O)NCCF)cn(Cc3ncnc(N(C)C)c3C)c2c1
InChIInChI=1S/C19H23FN6O2/c1-12-15(23-11-24-18(12)25(2)3)10-26-9-14(19(27)21-6-5-20)17-16(26)7-13(28-4)8-22-17/h7-9,11H,5-6,10H2,1-4H3,(H,21,27)
InChIKeyBTQWUAZFDIYUMA-UHFFFAOYSA-N
XLogP1.96
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[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 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide (CID 90467160) is 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide is COc1cnc2c(C(=O)NCCF)cn(Cc3ncnc(N(C)C)c3C)c2c1.
What is the InChIKey of 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is BTQWUAZFDIYUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O2/c1-12-15(23-11-24-18(12)25(2)3)10-26-9-14(19(27)21-6-5-20)17-16(26)7-13(28-4)8-22-17/h7-9,11H,5-6,10H2,1-4H3,(H,21,27).
What are the key properties of 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide?
1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 90467160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).