[2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol

C19H22ClN5O2 — CID 140914799

IUPAC[2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCC(N)CC4)nc3n2)cc1Cl
InChIInChI=1S/C19H22ClN5O2/c1-27-17-8-12(11-26)14(9-15(17)20)16-10-25-7-4-18(23-19(25)22-16)24-5-2-13(21)3-6-24/h4,7-10,13,26H,2-3,5-6,11,21H2,1H3
InChIKeyKPFFHQOHJHBWEF-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.48
Rot. Bonds4

About [2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol

[2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol (PubChem CID 140914799) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is [2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol
PubChem CID140914799
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name[2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCC(N)CC4)nc3n2)cc1Cl
InChIInChI=1S/C19H22ClN5O2/c1-27-17-8-12(11-26)14(9-15(17)20)16-10-25-7-4-18(23-19(25)22-16)24-5-2-13(21)3-6-24/h4,7-10,13,26H,2-3,5-6,11,21H2,1H3
InChIKeyKPFFHQOHJHBWEF-UHFFFAOYSA-N
XLogP2.48
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The IUPAC name of [2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol (CID 140914799) is [2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol.
What is the SMILES notation for [2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The canonical SMILES for [2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol is COc1cc(CO)c(-c2cn3ccc(N4CCC(N)CC4)nc3n2)cc1Cl.
What is the InChIKey of [2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The InChIKey is KPFFHQOHJHBWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c1-27-17-8-12(11-26)14(9-15(17)20)16-10-25-7-4-18(23-19(25)22-16)24-5-2-13(21)3-6-24/h4,7-10,13,26H,2-3,5-6,11,21H2,1H3.
What are the key properties of [2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
[2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol has a molecular weight of 387.87 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol is sourced from PubChem (CID 140914799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).