[8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-2-yl]methanol

C20H18F2N4OS — CID 58207948

IUPAC[8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-2-yl]methanol
SMILESCC(C)Nc1ncc(-c2cc(-c3ccc(F)cc3F)c3nc(CO)cn3c2)s1
InChIInChI=1S/C20H18F2N4OS/c1-11(2)24-20-23-7-18(28-20)12-5-16(15-4-3-13(21)6-17(15)22)19-25-14(10-27)9-26(19)8-12/h3-9,11,27H,10H2,1-2H3,(H,23,24)
InChIKeyXNOLTNAJGMWJNY-UHFFFAOYSA-N
MW400.45 g/mol
LogP4.72
Rot. Bonds5

About [8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-2-yl]methanol

[8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-2-yl]methanol (PubChem CID 58207948) has the molecular formula C20H18F2N4OS and a molecular weight of 400.45 g/mol. Its IUPAC name is [8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-2-yl]methanol
PubChem CID58207948
Molecular FormulaC20H18F2N4OS
Molecular Weight400.45 g/mol
Exact Mass400.12
IUPAC Name[8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-2-yl]methanol
SMILESCC(C)Nc1ncc(-c2cc(-c3ccc(F)cc3F)c3nc(CO)cn3c2)s1
InChIInChI=1S/C20H18F2N4OS/c1-11(2)24-20-23-7-18(28-20)12-5-16(15-4-3-13(21)6-17(15)22)19-25-14(10-27)9-26(19)8-12/h3-9,11,27H,10H2,1-2H3,(H,23,24)
InChIKeyXNOLTNAJGMWJNY-UHFFFAOYSA-N
XLogP4.72
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-2-yl]methanol?
The IUPAC name of [8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-2-yl]methanol (CID 58207948) is [8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-2-yl]methanol.
What is the SMILES notation for [8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-2-yl]methanol?
The canonical SMILES for [8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-2-yl]methanol is CC(C)Nc1ncc(-c2cc(-c3ccc(F)cc3F)c3nc(CO)cn3c2)s1.
What is the InChIKey of [8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-2-yl]methanol?
The InChIKey is XNOLTNAJGMWJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4OS/c1-11(2)24-20-23-7-18(28-20)12-5-16(15-4-3-13(21)6-17(15)22)19-25-14(10-27)9-26(19)8-12/h3-9,11,27H,10H2,1-2H3,(H,23,24).
What are the key properties of [8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-2-yl]methanol?
[8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-2-yl]methanol has a molecular weight of 400.45 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-2-yl]methanol is sourced from PubChem (CID 58207948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).