N-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide

C17H17FN4O3 — CID 163252714

IUPACN-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide
SMILESCOc1nc(C)c(F)c(OC)c1-c1cc2cc(NC=O)ncc2n1C
InChIInChI=1S/C17H17FN4O3/c1-9-15(18)16(24-3)14(17(21-9)25-4)11-5-10-6-13(20-8-23)19-7-12(10)22(11)2/h5-8H,1-4H3,(H,19,20,23)
InChIKeyFHRXTACKTGENIF-UHFFFAOYSA-N
MW344.35 g/mol
LogP2.67
Rot. Bonds5

About N-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide

N-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide (PubChem CID 163252714) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is N-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide
PubChem CID163252714
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC NameN-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide
SMILESCOc1nc(C)c(F)c(OC)c1-c1cc2cc(NC=O)ncc2n1C
InChIInChI=1S/C17H17FN4O3/c1-9-15(18)16(24-3)14(17(21-9)25-4)11-5-10-6-13(20-8-23)19-7-12(10)22(11)2/h5-8H,1-4H3,(H,19,20,23)
InChIKeyFHRXTACKTGENIF-UHFFFAOYSA-N
XLogP2.67
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide?
The IUPAC name of N-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide (CID 163252714) is N-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide.
What is the SMILES notation for N-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide?
The canonical SMILES for N-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide is COc1nc(C)c(F)c(OC)c1-c1cc2cc(NC=O)ncc2n1C.
What is the InChIKey of N-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide?
The InChIKey is FHRXTACKTGENIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c1-9-15(18)16(24-3)14(17(21-9)25-4)11-5-10-6-13(20-8-23)19-7-12(10)22(11)2/h5-8H,1-4H3,(H,19,20,23).
What are the key properties of N-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide?
N-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide has a molecular weight of 344.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide is sourced from PubChem (CID 163252714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).