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

C17H17F2N5O2 — CID 90466851

IUPAC6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1ncnc(Cn2cc(C(=O)NCCF)c3ncc(F)cc32)c1C
InChIInChI=1S/C17H17F2N5O2/c1-10-13(22-9-23-17(10)26-2)8-24-7-12(16(25)20-4-3-18)15-14(24)5-11(19)6-21-15/h5-7,9H,3-4,8H2,1-2H3,(H,20,25)
InChIKeyUSIZVOMTFILKKX-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.03
Rot. Bonds6

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

6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 90466851) has the molecular formula C17H17F2N5O2 and a molecular weight of 361.35 g/mol. Its IUPAC name is 6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID90466851
Molecular FormulaC17H17F2N5O2
Molecular Weight361.35 g/mol
Exact Mass361.14
IUPAC Name6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1ncnc(Cn2cc(C(=O)NCCF)c3ncc(F)cc32)c1C
InChIInChI=1S/C17H17F2N5O2/c1-10-13(22-9-23-17(10)26-2)8-24-7-12(16(25)20-4-3-18)15-14(24)5-11(19)6-21-15/h5-7,9H,3-4,8H2,1-2H3,(H,20,25)
InChIKeyUSIZVOMTFILKKX-UHFFFAOYSA-N
XLogP2.03
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (CID 90466851) is 6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is COc1ncnc(Cn2cc(C(=O)NCCF)c3ncc(F)cc32)c1C.
What is the InChIKey of 6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is USIZVOMTFILKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O2/c1-10-13(22-9-23-17(10)26-2)8-24-7-12(16(25)20-4-3-18)15-14(24)5-11(19)6-21-15/h5-7,9H,3-4,8H2,1-2H3,(H,20,25).
What are the key properties of 6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 361.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 90466851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).