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

C19H24F2N4O3 — CID 163252713

IUPACN-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide;fluoroethane;molecular hydrogen
SMILESCCF.COc1nc(C)c(F)c(OC)c1-c1cc2cc(NC=O)ncc2n1C.[H][H]
InChIInChI=1S/C17H17FN4O3.C2H5F.H2/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;1-2-3;/h5-8H,1-4H3,(H,19,20,23);2H2,1H3;1H
InChIKeyWTMOHBBDCCKZFY-UHFFFAOYSA-N
MW394.42 g/mol
LogP3.89
Rot. Bonds5

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

N-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide;fluoroethane;molecular hydrogen (PubChem CID 163252713) has the molecular formula C19H24F2N4O3 and a molecular weight of 394.42 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;fluoroethane;molecular hydrogen.

Molecular Properties

Compound NameN-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide;fluoroethane;molecular hydrogen
PubChem CID163252713
Molecular FormulaC19H24F2N4O3
Molecular Weight394.42 g/mol
Exact Mass394.18
IUPAC NameN-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide;fluoroethane;molecular hydrogen
SMILESCCF.COc1nc(C)c(F)c(OC)c1-c1cc2cc(NC=O)ncc2n1C.[H][H]
InChIInChI=1S/C17H17FN4O3.C2H5F.H2/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;1-2-3;/h5-8H,1-4H3,(H,19,20,23);2H2,1H3;1H
InChIKeyWTMOHBBDCCKZFY-UHFFFAOYSA-N
XLogP3.89
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 53.89
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;fluoroethane;molecular hydrogen?
The IUPAC name of N-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide;fluoroethane;molecular hydrogen (CID 163252713) is N-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide;fluoroethane;molecular hydrogen.
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;fluoroethane;molecular hydrogen?
The canonical SMILES for N-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide;fluoroethane;molecular hydrogen is CCF.COc1nc(C)c(F)c(OC)c1-c1cc2cc(NC=O)ncc2n1C.[H][H].
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;fluoroethane;molecular hydrogen?
The InChIKey is WTMOHBBDCCKZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3.C2H5F.H2/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;1-2-3;/h5-8H,1-4H3,(H,19,20,23);2H2,1H3;1H.
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;fluoroethane;molecular hydrogen?
N-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide;fluoroethane;molecular hydrogen has a molecular weight of 394.42 g/mol, XLogP of 3.89, 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;fluoroethane;molecular hydrogen is sourced from PubChem (CID 163252713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).