N-[6-(2-ethyl-4-fluoroanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide

C19H20FN5O — CID 126494685

IUPACN-[6-(2-ethyl-4-fluoroanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESCCc1cc(F)ccc1Nc1cc2c(ncn2C)c(NC(=O)C2CC2)n1
InChIInChI=1S/C19H20FN5O/c1-3-11-8-13(20)6-7-14(11)22-16-9-15-17(21-10-25(15)2)18(23-16)24-19(26)12-4-5-12/h6-10,12H,3-5H2,1-2H3,(H2,22,23,24,26)
InChIKeyZIGVPHHDBRNUDO-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.76
Rot. Bonds5

About N-[6-(2-ethyl-4-fluoroanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide

N-[6-(2-ethyl-4-fluoroanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide (PubChem CID 126494685) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[6-(2-ethyl-4-fluoroanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(2-ethyl-4-fluoroanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
PubChem CID126494685
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC NameN-[6-(2-ethyl-4-fluoroanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESCCc1cc(F)ccc1Nc1cc2c(ncn2C)c(NC(=O)C2CC2)n1
InChIInChI=1S/C19H20FN5O/c1-3-11-8-13(20)6-7-14(11)22-16-9-15-17(21-10-25(15)2)18(23-16)24-19(26)12-4-5-12/h6-10,12H,3-5H2,1-2H3,(H2,22,23,24,26)
InChIKeyZIGVPHHDBRNUDO-UHFFFAOYSA-N
XLogP3.76
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethyl-4-fluoroanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(2-ethyl-4-fluoroanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide (CID 126494685) is N-[6-(2-ethyl-4-fluoroanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(2-ethyl-4-fluoroanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(2-ethyl-4-fluoroanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide is CCc1cc(F)ccc1Nc1cc2c(ncn2C)c(NC(=O)C2CC2)n1.
What is the InChIKey of N-[6-(2-ethyl-4-fluoroanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide?
The InChIKey is ZIGVPHHDBRNUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-3-11-8-13(20)6-7-14(11)22-16-9-15-17(21-10-25(15)2)18(23-16)24-19(26)12-4-5-12/h6-10,12H,3-5H2,1-2H3,(H2,22,23,24,26).
What are the key properties of N-[6-(2-ethyl-4-fluoroanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide?
N-[6-(2-ethyl-4-fluoroanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethyl-4-fluoroanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 126494685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).