[2-[6-(2-aminoethylamino)-8-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol

C21H25ClFN5O3 — CID 140914392

IUPAC[2-[6-(2-aminoethylamino)-8-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3cc(NCCN)c(N4CCOCC4)c(F)c3n2)cc1Cl
InChIInChI=1S/C21H25ClFN5O3/c1-30-18-8-13(12-29)14(9-15(18)22)16-10-28-11-17(25-3-2-24)20(19(23)21(28)26-16)27-4-6-31-7-5-27/h8-11,25,29H,2-7,12,24H2,1H3
InChIKeyVPLGISMXMJFVHE-UHFFFAOYSA-N
MW449.91 g/mol
LogP2.50
Rot. Bonds7

About [2-[6-(2-aminoethylamino)-8-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol

[2-[6-(2-aminoethylamino)-8-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol (PubChem CID 140914392) has the molecular formula C21H25ClFN5O3 and a molecular weight of 449.91 g/mol. Its IUPAC name is [2-[6-(2-aminoethylamino)-8-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[6-(2-aminoethylamino)-8-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol
PubChem CID140914392
Molecular FormulaC21H25ClFN5O3
Molecular Weight449.91 g/mol
Exact Mass449.16
IUPAC Name[2-[6-(2-aminoethylamino)-8-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3cc(NCCN)c(N4CCOCC4)c(F)c3n2)cc1Cl
InChIInChI=1S/C21H25ClFN5O3/c1-30-18-8-13(12-29)14(9-15(18)22)16-10-28-11-17(25-3-2-24)20(19(23)21(28)26-16)27-4-6-31-7-5-27/h8-11,25,29H,2-7,12,24H2,1H3
InChIKeyVPLGISMXMJFVHE-UHFFFAOYSA-N
XLogP2.50
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.91
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-[6-(2-aminoethylamino)-8-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The IUPAC name of [2-[6-(2-aminoethylamino)-8-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol (CID 140914392) is [2-[6-(2-aminoethylamino)-8-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol.
What is the SMILES notation for [2-[6-(2-aminoethylamino)-8-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The canonical SMILES for [2-[6-(2-aminoethylamino)-8-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol is COc1cc(CO)c(-c2cn3cc(NCCN)c(N4CCOCC4)c(F)c3n2)cc1Cl.
What is the InChIKey of [2-[6-(2-aminoethylamino)-8-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The InChIKey is VPLGISMXMJFVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN5O3/c1-30-18-8-13(12-29)14(9-15(18)22)16-10-28-11-17(25-3-2-24)20(19(23)21(28)26-16)27-4-6-31-7-5-27/h8-11,25,29H,2-7,12,24H2,1H3.
What are the key properties of [2-[6-(2-aminoethylamino)-8-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
[2-[6-(2-aminoethylamino)-8-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol has a molecular weight of 449.91 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(2-aminoethylamino)-8-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol is sourced from PubChem (CID 140914392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).