1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide

C17H17F2N5O3 — CID 171352668

IUPAC1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCc1c(Cn2cc(C(=O)NCCO)c3ncccc32)ncnc1OC(F)F
InChIInChI=1S/C17H17F2N5O3/c1-10-12(22-9-23-16(10)27-17(18)19)8-24-7-11(15(26)21-5-6-25)14-13(24)3-2-4-20-14/h2-4,7,9,17,25H,5-6,8H2,1H3,(H,21,26)
InChIKeyRRWYKAIGTBJFNQ-UHFFFAOYSA-N
MW377.35 g/mol
LogP1.51
Rot. Bonds7

About 1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide

1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 171352668) has the molecular formula C17H17F2N5O3 and a molecular weight of 377.35 g/mol. Its IUPAC name is 1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID171352668
Molecular FormulaC17H17F2N5O3
Molecular Weight377.35 g/mol
Exact Mass377.13
IUPAC Name1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCc1c(Cn2cc(C(=O)NCCO)c3ncccc32)ncnc1OC(F)F
InChIInChI=1S/C17H17F2N5O3/c1-10-12(22-9-23-16(10)27-17(18)19)8-24-7-11(15(26)21-5-6-25)14-13(24)3-2-4-20-14/h2-4,7,9,17,25H,5-6,8H2,1H3,(H,21,26)
InChIKeyRRWYKAIGTBJFNQ-UHFFFAOYSA-N
XLogP1.51
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide (CID 171352668) is 1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide is Cc1c(Cn2cc(C(=O)NCCO)c3ncccc32)ncnc1OC(F)F.
What is the InChIKey of 1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is RRWYKAIGTBJFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O3/c1-10-12(22-9-23-16(10)27-17(18)19)8-24-7-11(15(26)21-5-6-25)14-13(24)3-2-4-20-14/h2-4,7,9,17,25H,5-6,8H2,1H3,(H,21,26).
What are the key properties of 1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide?
1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 377.35 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 171352668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).