N-[3-[6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide

C22H18ClFN4O2 — CID 121379899

IUPACN-[3-[6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2c(C)nc3c(OCc4ncccc4F)cc(Cl)cn23)c1
InChIInChI=1S/C22H18ClFN4O2/c1-13-21(15-5-3-6-17(9-15)27-14(2)29)28-11-16(23)10-20(22(28)26-13)30-12-19-18(24)7-4-8-25-19/h3-11H,12H2,1-2H3,(H,27,29)
InChIKeySDURGTMRELBPHA-UHFFFAOYSA-N
MW424.86 g/mol
LogP5.03
Rot. Bonds5

About N-[3-[6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide

N-[3-[6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide (PubChem CID 121379899) has the molecular formula C22H18ClFN4O2 and a molecular weight of 424.86 g/mol. Its IUPAC name is N-[3-[6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide
PubChem CID121379899
Molecular FormulaC22H18ClFN4O2
Molecular Weight424.86 g/mol
Exact Mass424.11
IUPAC NameN-[3-[6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2c(C)nc3c(OCc4ncccc4F)cc(Cl)cn23)c1
InChIInChI=1S/C22H18ClFN4O2/c1-13-21(15-5-3-6-17(9-15)27-14(2)29)28-11-16(23)10-20(22(28)26-13)30-12-19-18(24)7-4-8-25-19/h3-11H,12H2,1-2H3,(H,27,29)
InChIKeySDURGTMRELBPHA-UHFFFAOYSA-N
XLogP5.03
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.86
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide (CID 121379899) is N-[3-[6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2c(C)nc3c(OCc4ncccc4F)cc(Cl)cn23)c1.
What is the InChIKey of N-[3-[6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide?
The InChIKey is SDURGTMRELBPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O2/c1-13-21(15-5-3-6-17(9-15)27-14(2)29)28-11-16(23)10-20(22(28)26-13)30-12-19-18(24)7-4-8-25-19/h3-11H,12H2,1-2H3,(H,27,29).
What are the key properties of N-[3-[6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide?
N-[3-[6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide has a molecular weight of 424.86 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide is sourced from PubChem (CID 121379899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).