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

C21H24ClN5O4S — CID 140914558

IUPAC[4-chloro-2-[7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCN(S(=O)(=O)C5CC5)CC4)nc3n2)cc1Cl
InChIInChI=1S/C21H24ClN5O4S/c1-31-19-10-14(13-28)16(11-17(19)22)18-12-26-5-4-20(24-21(26)23-18)25-6-8-27(9-7-25)32(29,30)15-2-3-15/h4-5,10-12,15,28H,2-3,6-9,13H2,1H3
InChIKeyKKELKNXFVYCRQI-UHFFFAOYSA-N
MW477.97 g/mol
LogP2.16
Rot. Bonds6

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

[4-chloro-2-[7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-5-methoxyphenyl]methanol (PubChem CID 140914558) has the molecular formula C21H24ClN5O4S and a molecular weight of 477.97 g/mol. Its IUPAC name is [4-chloro-2-[7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-5-methoxyphenyl]methanol
PubChem CID140914558
Molecular FormulaC21H24ClN5O4S
Molecular Weight477.97 g/mol
Exact Mass477.12
IUPAC Name[4-chloro-2-[7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCN(S(=O)(=O)C5CC5)CC4)nc3n2)cc1Cl
InChIInChI=1S/C21H24ClN5O4S/c1-31-19-10-14(13-28)16(11-17(19)22)18-12-26-5-4-20(24-21(26)23-18)25-6-8-27(9-7-25)32(29,30)15-2-3-15/h4-5,10-12,15,28H,2-3,6-9,13H2,1H3
InChIKeyKKELKNXFVYCRQI-UHFFFAOYSA-N
XLogP2.16
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.97
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide
CID 140914571
2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-cyclopentylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine
CID 135334869
[2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol
CID 140914799
[2-(7-aminoimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol
CID 140914464
(3R)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrrolidin-3-amine
CID 135335362
(3R)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride
CID 135335613
N-[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-1-phenylmethanesulfonamide
CID 154702314
[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl] formate
CID 140914849
2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine
CID 159661516
tert-butyl N-[1-[2-[5-bromo-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyrimidin-7-yl]pyrrolidin-3-yl]carbamate
CID 154702275
[4-chloro-2-[7-[4-(cyclopentylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
CID 140914663
1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-phenylpiperidine-4-carboxamide
CID 140914841

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-5-methoxyphenyl]methanol?
The IUPAC name of [4-chloro-2-[7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-5-methoxyphenyl]methanol (CID 140914558) is [4-chloro-2-[7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-5-methoxyphenyl]methanol.
What is the SMILES notation for [4-chloro-2-[7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-5-methoxyphenyl]methanol?
The canonical SMILES for [4-chloro-2-[7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-5-methoxyphenyl]methanol is COc1cc(CO)c(-c2cn3ccc(N4CCN(S(=O)(=O)C5CC5)CC4)nc3n2)cc1Cl.
What is the InChIKey of [4-chloro-2-[7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-5-methoxyphenyl]methanol?
The InChIKey is KKELKNXFVYCRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O4S/c1-31-19-10-14(13-28)16(11-17(19)22)18-12-26-5-4-20(24-21(26)23-18)25-6-8-27(9-7-25)32(29,30)15-2-3-15/h4-5,10-12,15,28H,2-3,6-9,13H2,1H3.
What are the key properties of [4-chloro-2-[7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-5-methoxyphenyl]methanol?
[4-chloro-2-[7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-5-methoxyphenyl]methanol has a molecular weight of 477.97 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-5-methoxyphenyl]methanol is sourced from PubChem (CID 140914558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).