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

C17H18FN5O2 — CID 72792631

IUPACN-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1ncnc(Cn2cc(C(=O)NCCF)c3ncccc32)c1C
InChIInChI=1S/C17H18FN5O2/c1-11-13(21-10-22-17(11)25-2)9-23-8-12(16(24)20-7-5-18)15-14(23)4-3-6-19-15/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,20,24)
InChIKeyGOTKNCGHRKDWAI-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.89
Rot. Bonds6

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

N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 72792631) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID72792631
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC NameN-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1ncnc(Cn2cc(C(=O)NCCF)c3ncccc32)c1C
InChIInChI=1S/C17H18FN5O2/c1-11-13(21-10-22-17(11)25-2)9-23-8-12(16(24)20-7-5-18)15-14(23)4-3-6-19-15/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,20,24)
InChIKeyGOTKNCGHRKDWAI-UHFFFAOYSA-N
XLogP1.89
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (CID 72792631) is N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is COc1ncnc(Cn2cc(C(=O)NCCF)c3ncccc32)c1C.
What is the InChIKey of N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is GOTKNCGHRKDWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-11-13(21-10-22-17(11)25-2)9-23-8-12(16(24)20-7-5-18)15-14(23)4-3-6-19-15/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,20,24).
What are the key properties of N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 72792631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).