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

C18H21N5O4 — CID 90467159

IUPACN-(2-hydroxyethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1cnc2c(C(=O)NCCO)cn(Cc3ncnc(OC)c3C)c2c1
InChIInChI=1S/C18H21N5O4/c1-11-14(21-10-22-18(11)27-3)9-23-8-13(17(25)19-4-5-24)16-15(23)6-12(26-2)7-20-16/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25)
InChIKeyBPOMAKFXYIVWGA-UHFFFAOYSA-N
MW371.40 g/mol
LogP0.92
Rot. Bonds7

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

N-(2-hydroxyethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 90467159) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID90467159
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC NameN-(2-hydroxyethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1cnc2c(C(=O)NCCO)cn(Cc3ncnc(OC)c3C)c2c1
InChIInChI=1S/C18H21N5O4/c1-11-14(21-10-22-18(11)27-3)9-23-8-13(17(25)19-4-5-24)16-15(23)6-12(26-2)7-20-16/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25)
InChIKeyBPOMAKFXYIVWGA-UHFFFAOYSA-N
XLogP0.92
TPSA111.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (CID 90467159) is N-(2-hydroxyethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is COc1cnc2c(C(=O)NCCO)cn(Cc3ncnc(OC)c3C)c2c1.
What is the InChIKey of N-(2-hydroxyethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is BPOMAKFXYIVWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4/c1-11-14(21-10-22-18(11)27-3)9-23-8-13(17(25)19-4-5-24)16-15(23)6-12(26-2)7-20-16/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25).
What are the key properties of N-(2-hydroxyethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
N-(2-hydroxyethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 90467159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).