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

C19H24N6O3 — CID 90467162

IUPAC1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1cnc2c(C(=O)NCCO)cn(Cc3ncnc(N(C)C)c3C)c2c1
InChIInChI=1S/C19H24N6O3/c1-12-15(22-11-23-18(12)24(2)3)10-25-9-14(19(27)20-5-6-26)17-16(25)7-13(28-4)8-21-17/h7-9,11,26H,5-6,10H2,1-4H3,(H,20,27)
InChIKeyLCCDAYCGXSEETO-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.98
Rot. Bonds7

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

1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 90467162) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID90467162
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1cnc2c(C(=O)NCCO)cn(Cc3ncnc(N(C)C)c3C)c2c1
InChIInChI=1S/C19H24N6O3/c1-12-15(22-11-23-18(12)24(2)3)10-25-9-14(19(27)20-5-6-26)17-16(25)7-13(28-4)8-21-17/h7-9,11,26H,5-6,10H2,1-4H3,(H,20,27)
InChIKeyLCCDAYCGXSEETO-UHFFFAOYSA-N
XLogP0.98
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide (CID 90467162) is 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide is COc1cnc2c(C(=O)NCCO)cn(Cc3ncnc(N(C)C)c3C)c2c1.
What is the InChIKey of 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is LCCDAYCGXSEETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-12-15(22-11-23-18(12)24(2)3)10-25-9-14(19(27)20-5-6-26)17-16(25)7-13(28-4)8-21-17/h7-9,11,26H,5-6,10H2,1-4H3,(H,20,27).
What are the key properties of 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide?
1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-hydroxyethyl)-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 90467162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).