[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone

C20H18FN5OS — CID 119060242

IUPAC[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1ccn2c(F)c(C(=O)N3CCN(c4nsc5ccccc45)CC3)nc2c1
InChIInChI=1S/C20H18FN5OS/c1-13-6-7-26-16(12-13)22-17(18(26)21)20(27)25-10-8-24(9-11-25)19-14-4-2-3-5-15(14)28-23-19/h2-7,12H,8-11H2,1H3
InChIKeyUZSCAUPQZVHIBG-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.35
Rot. Bonds2

About [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone

[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 119060242) has the molecular formula C20H18FN5OS and a molecular weight of 395.46 g/mol. Its IUPAC name is [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID119060242
Molecular FormulaC20H18FN5OS
Molecular Weight395.46 g/mol
Exact Mass395.12
IUPAC Name[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1ccn2c(F)c(C(=O)N3CCN(c4nsc5ccccc45)CC3)nc2c1
InChIInChI=1S/C20H18FN5OS/c1-13-6-7-26-16(12-13)22-17(18(26)21)20(27)25-10-8-24(9-11-25)19-14-4-2-3-5-15(14)28-23-19/h2-7,12H,8-11H2,1H3
InChIKeyUZSCAUPQZVHIBG-UHFFFAOYSA-N
XLogP3.35
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(2-fluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 68781557
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
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3-Allyl-1-benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 9974009
1,3-Dibenzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 10970979
1-Benzyl-3-isobutyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 11046285
1-Benzyl-3-ethyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 11056301
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxamide
CID 23120550
N-[(2-fluorophenyl)methyl]-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 44178070
(R)-1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-2-(6-(trifluoromethyl)pyridin-3-yl)-7,8-dihydro-1H-imidazo[2,1-b]purin-4(5H)-one
CID 53357190
1-[(3,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-2-(6-phenyl-3-pyridinyl)-8H-imidazo[2,1-b]purin-4-one
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Frequently Asked Questions

What is the IUPAC name of [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 119060242) is [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone is Cc1ccn2c(F)c(C(=O)N3CCN(c4nsc5ccccc45)CC3)nc2c1.
What is the InChIKey of [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is UZSCAUPQZVHIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5OS/c1-13-6-7-26-16(12-13)22-17(18(26)21)20(27)25-10-8-24(9-11-25)19-14-4-2-3-5-15(14)28-23-19/h2-7,12H,8-11H2,1H3.
What are the key properties of [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 395.46 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 119060242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).