[6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]methanol

C21H21FN4OS — CID 58207931

IUPAC[6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]methanol
SMILESCC[C@@H](C)Nc1ncc(-c2cc(-c3ccccc3F)c3nc(CO)cn3c2)s1
InChIInChI=1S/C21H21FN4OS/c1-3-13(2)24-21-23-9-19(28-21)14-8-17(16-6-4-5-7-18(16)22)20-25-15(12-27)11-26(20)10-14/h4-11,13,27H,3,12H2,1-2H3,(H,23,24)/t13-/m1/s1
InChIKeyCCIQMIZLMNMZML-CYBMUJFWSA-N
MW396.49 g/mol
LogP4.97
Rot. Bonds6

About [6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]methanol

[6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]methanol (PubChem CID 58207931) has the molecular formula C21H21FN4OS and a molecular weight of 396.49 g/mol. Its IUPAC name is [6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]methanol
PubChem CID58207931
Molecular FormulaC21H21FN4OS
Molecular Weight396.49 g/mol
Exact Mass396.14
IUPAC Name[6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]methanol
SMILESCC[C@@H](C)Nc1ncc(-c2cc(-c3ccccc3F)c3nc(CO)cn3c2)s1
InChIInChI=1S/C21H21FN4OS/c1-3-13(2)24-21-23-9-19(28-21)14-8-17(16-6-4-5-7-18(16)22)20-25-15(12-27)11-26(20)10-14/h4-11,13,27H,3,12H2,1-2H3,(H,23,24)/t13-/m1/s1
InChIKeyCCIQMIZLMNMZML-CYBMUJFWSA-N
XLogP4.97
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]methanol?
The IUPAC name of [6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]methanol (CID 58207931) is [6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]methanol.
What is the SMILES notation for [6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]methanol?
The canonical SMILES for [6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]methanol is CC[C@@H](C)Nc1ncc(-c2cc(-c3ccccc3F)c3nc(CO)cn3c2)s1.
What is the InChIKey of [6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]methanol?
The InChIKey is CCIQMIZLMNMZML-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H21FN4OS/c1-3-13(2)24-21-23-9-19(28-21)14-8-17(16-6-4-5-7-18(16)22)20-25-15(12-27)11-26(20)10-14/h4-11,13,27H,3,12H2,1-2H3,(H,23,24)/t13-/m1/s1.
What are the key properties of [6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]methanol?
[6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]methanol has a molecular weight of 396.49 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]methanol is sourced from PubChem (CID 58207931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).