N-[[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide

C18H19FN4O2S — CID 71535682

IUPACN-[[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cncc(-c2nc3ccc(F)cn3c2C2CC2)c1
InChIInChI=1S/C18H19FN4O2S/c1-2-26(24,25)21-9-12-7-14(10-20-8-12)17-18(13-3-4-13)23-11-15(19)5-6-16(23)22-17/h5-8,10-11,13,21H,2-4,9H2,1H3
InChIKeyIYEKWDPGPALGOX-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.85
Rot. Bonds6

About N-[[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide

N-[[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide (PubChem CID 71535682) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
PubChem CID71535682
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC NameN-[[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cncc(-c2nc3ccc(F)cn3c2C2CC2)c1
InChIInChI=1S/C18H19FN4O2S/c1-2-26(24,25)21-9-12-7-14(10-20-8-12)17-18(13-3-4-13)23-11-15(19)5-6-16(23)22-17/h5-8,10-11,13,21H,2-4,9H2,1H3
InChIKeyIYEKWDPGPALGOX-UHFFFAOYSA-N
XLogP2.85
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide?
The IUPAC name of N-[[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide (CID 71535682) is N-[[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide is CCS(=O)(=O)NCc1cncc(-c2nc3ccc(F)cn3c2C2CC2)c1.
What is the InChIKey of N-[[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide?
The InChIKey is IYEKWDPGPALGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2S/c1-2-26(24,25)21-9-12-7-14(10-20-8-12)17-18(13-3-4-13)23-11-15(19)5-6-16(23)22-17/h5-8,10-11,13,21H,2-4,9H2,1H3.
What are the key properties of N-[[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide?
N-[[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide has a molecular weight of 374.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide is sourced from PubChem (CID 71535682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).