N-cyclohexyl-1-(5-fluoropyrimidin-2-yl)-N-methylpyrrolo[2,3-b]pyridine-3-carboxamide

C19H20FN5O — CID 69093739

IUPACN-cyclohexyl-1-(5-fluoropyrimidin-2-yl)-N-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCN(C(=O)c1cn(-c2ncc(F)cn2)c2ncccc12)C1CCCCC1
InChIInChI=1S/C19H20FN5O/c1-24(14-6-3-2-4-7-14)18(26)16-12-25(17-15(16)8-5-9-21-17)19-22-10-13(20)11-23-19/h5,8-12,14H,2-4,6-7H2,1H3
InChIKeyGQPFGBJGBNCSSQ-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.36
Rot. Bonds3

About N-cyclohexyl-1-(5-fluoropyrimidin-2-yl)-N-methylpyrrolo[2,3-b]pyridine-3-carboxamide

N-cyclohexyl-1-(5-fluoropyrimidin-2-yl)-N-methylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 69093739) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is N-cyclohexyl-1-(5-fluoropyrimidin-2-yl)-N-methylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(5-fluoropyrimidin-2-yl)-N-methylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID69093739
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC NameN-cyclohexyl-1-(5-fluoropyrimidin-2-yl)-N-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCN(C(=O)c1cn(-c2ncc(F)cn2)c2ncccc12)C1CCCCC1
InChIInChI=1S/C19H20FN5O/c1-24(14-6-3-2-4-7-14)18(26)16-12-25(17-15(16)8-5-9-21-17)19-22-10-13(20)11-23-19/h5,8-12,14H,2-4,6-7H2,1H3
InChIKeyGQPFGBJGBNCSSQ-UHFFFAOYSA-N
XLogP3.36
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(5-fluoropyrimidin-2-yl)-N-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(5-fluoropyrimidin-2-yl)-N-methylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 69093739) is N-cyclohexyl-1-(5-fluoropyrimidin-2-yl)-N-methylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(5-fluoropyrimidin-2-yl)-N-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(5-fluoropyrimidin-2-yl)-N-methylpyrrolo[2,3-b]pyridine-3-carboxamide is CN(C(=O)c1cn(-c2ncc(F)cn2)c2ncccc12)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-(5-fluoropyrimidin-2-yl)-N-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is GQPFGBJGBNCSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-24(14-6-3-2-4-7-14)18(26)16-12-25(17-15(16)8-5-9-21-17)19-22-10-13(20)11-23-19/h5,8-12,14H,2-4,6-7H2,1H3.
What are the key properties of N-cyclohexyl-1-(5-fluoropyrimidin-2-yl)-N-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
N-cyclohexyl-1-(5-fluoropyrimidin-2-yl)-N-methylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(5-fluoropyrimidin-2-yl)-N-methylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 69093739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).