[2-[7-[4-(2-aminoethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-chloropyrimidin-2-amine;4-propylpiperidine;4-(4-propylpiperidin-1-yl)pyrimidin-2-amine;hydrochloride

C77H105BrCl5N17O7 — CID 159817924

IUPAC[2-[7-[4-(2-aminoethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-chloropyrimidin-2-amine;4-propylpiperidine;4-(4-propylpiperidin-1-yl)pyrimidin-2-amine;hydrochloride
SMILESCCCC1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4CO)nc3n2)CC1.CCCC1CCN(c2ccnc(N)n2)CC1.CCCC1CCNCC1.COc1cc(CO)c(-c2cn3ccc(N4CCC(CCN)CC4)nc3n2)cc1Cl.COc1cc(CO)c(C(=O)CBr)cc1Cl.Cl.Nc1nccc(Cl)n1
InChIInChI=1S/C22H27ClN4O2.C21H26ClN5O2.C12H20N4.C10H10BrClO3.C8H17N.C4H4ClN3.ClH/c1-3-4-15-5-8-26(9-6-15)21-7-10-27-13-19(24-22(27)25-21)17-12-18(23)20(29-2)11-16(17)14-28;1-29-19-10-15(13-28)16(11-17(19)22)18-12-27-9-5-20(25-21(27)24-18)26-7-3-14(2-6-23)4-8-26;1-2-3-10-5-8-16(9-6-10)11-4-7-14-12(13)15-11;1-15-10-2-6(5-13)7(3-8(10)12)9(14)4-11;1-2-3-8-4-6-9-7-5-8;5-3-1-2-7-4(6)8-3;/h7,10-13,15,28H,3-6,8-9,14H2,1-2H3;5,9-12,14,28H,2-4,6-8,13,23H2,1H3;4,7,10H,2-3,5-6,8-9H2,1H3,(H2,13,14,15);2-3,13H,4-5H2,1H3;8-9H,2-7H2,1H3;1-2H,(H2,6,7,8);1H
InChIKeyLUPNJSMXZIIFMJ-UHFFFAOYSA-N
MW1637.97 g/mol
LogP15.10
Rot. Bonds21

About [2-[7-[4-(2-aminoethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-chloropyrimidin-2-amine;4-propylpiperidine;4-(4-propylpiperidin-1-yl)pyrimidin-2-amine;hydrochloride

[2-[7-[4-(2-aminoethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-chloropyrimidin-2-amine;4-propylpiperidine;4-(4-propylpiperidin-1-yl)pyrimidin-2-amine;hydrochloride (PubChem CID 159817924) has the molecular formula C77H105BrCl5N17O7 and a molecular weight of 1637.97 g/mol. Its IUPAC name is [2-[7-[4-(2-aminoethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-chloropyrimidin-2-amine;4-propylpiperidine;4-(4-propylpiperidin-1-yl)pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name[2-[7-[4-(2-aminoethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-chloropyrimidin-2-amine;4-propylpiperidine;4-(4-propylpiperidin-1-yl)pyrimidin-2-amine;hydrochloride
PubChem CID159817924
Molecular FormulaC77H105BrCl5N17O7
Molecular Weight1637.97 g/mol
Exact Mass1633.60
IUPAC Name[2-[7-[4-(2-aminoethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-chloropyrimidin-2-amine;4-propylpiperidine;4-(4-propylpiperidin-1-yl)pyrimidin-2-amine;hydrochloride
SMILESCCCC1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4CO)nc3n2)CC1.CCCC1CCN(c2ccnc(N)n2)CC1.CCCC1CCNCC1.COc1cc(CO)c(-c2cn3ccc(N4CCC(CCN)CC4)nc3n2)cc1Cl.COc1cc(CO)c(C(=O)CBr)cc1Cl.Cl.Nc1nccc(Cl)n1
InChIInChI=1S/C22H27ClN4O2.C21H26ClN5O2.C12H20N4.C10H10BrClO3.C8H17N.C4H4ClN3.ClH/c1-3-4-15-5-8-26(9-6-15)21-7-10-27-13-19(24-22(27)25-21)17-12-18(23)20(29-2)11-16(17)14-28;1-29-19-10-15(13-28)16(11-17(19)22)18-12-27-9-5-20(25-21(27)24-18)26-7-3-14(2-6-23)4-8-26;1-2-3-10-5-8-16(9-6-10)11-4-7-14-12(13)15-11;1-15-10-2-6(5-13)7(3-8(10)12)9(14)4-11;1-2-3-8-4-6-9-7-5-8;5-3-1-2-7-4(6)8-3;/h7,10-13,15,28H,3-6,8-9,14H2,1-2H3;5,9-12,14,28H,2-4,6-8,13,23H2,1H3;4,7,10H,2-3,5-6,8-9H2,1H3,(H2,13,14,15);2-3,13H,4-5H2,1H3;8-9H,2-7H2,1H3;1-2H,(H2,6,7,8);1H
InChIKeyLUPNJSMXZIIFMJ-UHFFFAOYSA-N
XLogP15.10
TPSA317.20 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001637.97
LogP ≤ 515.10
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze [2-[7-[4-(2-aminoethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-chloropyrimidin-2-amine;4-propylpiperidine;4-(4-propylpiperidin-1-yl)pyrimidin-2-amine;hydrochloride with MolForge

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Related Compounds

US10508109, Example 251
CID 140914551
N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 140914389
1-[4-[2-[4-[2-[5-Chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 140914692
N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]benzamide
CID 140914889
[2-[6-(2-Aminoethylamino)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;[2-(6-bromo-7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;5-bromo-4-pyrrolidin-1-ylpyridin-2-amine;copper;ethane-1,2-diamine;oxocopper
CID 157117423
1-[4-[[[4-[[2-[5-Chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]methyl]cyclohexyl]amino]methyl]phenyl]propan-1-one
CID 157222857
(3S)-3-amino-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-4-methylpentan-2-one;[2-(7-aminoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-(dimethylamino)-4-methylpentan-2-one;(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,4-dimethylpentan-2-one;(2S)-2,3-dimethylbutanoic acid;sulfane
CID 157606200
2-Bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-chloropyrimidin-2-amine;4-propylpiperidine;4-(4-propylpiperidin-1-yl)pyrimidin-2-amine
CID 157741188
Acetyl chloride;[2-[6-(2-aminoethylamino)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;[2-(6-bromo-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;5-bromo-4-morpholin-4-ylpyridin-2-amine;5-[[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]amino]pentan-2-one;copper;oxocopper
CID 157776815
[2-[7-(3-Aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine;hydrochloride
CID 158227669
[2-(7-Bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;tert-butyl 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpiperazine-1-carboxylate;tert-butyl 2-methylpiperazine-1-carboxylate
CID 158250013
[2-(6-Bromo-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;[4-chloro-2-[6-(cyclohexen-1-yl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;[4-chloro-5-methoxy-2-[7-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
CID 158526067

Frequently Asked Questions

What is the IUPAC name of [2-[7-[4-(2-aminoethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-chloropyrimidin-2-amine;4-propylpiperidine;4-(4-propylpiperidin-1-yl)pyrimidin-2-amine;hydrochloride?
The IUPAC name of [2-[7-[4-(2-aminoethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-chloropyrimidin-2-amine;4-propylpiperidine;4-(4-propylpiperidin-1-yl)pyrimidin-2-amine;hydrochloride (CID 159817924) is [2-[7-[4-(2-aminoethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-chloropyrimidin-2-amine;4-propylpiperidine;4-(4-propylpiperidin-1-yl)pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for [2-[7-[4-(2-aminoethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-chloropyrimidin-2-amine;4-propylpiperidine;4-(4-propylpiperidin-1-yl)pyrimidin-2-amine;hydrochloride?
The canonical SMILES for [2-[7-[4-(2-aminoethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-chloropyrimidin-2-amine;4-propylpiperidine;4-(4-propylpiperidin-1-yl)pyrimidin-2-amine;hydrochloride is CCCC1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4CO)nc3n2)CC1.CCCC1CCN(c2ccnc(N)n2)CC1.CCCC1CCNCC1.COc1cc(CO)c(-c2cn3ccc(N4CCC(CCN)CC4)nc3n2)cc1Cl.COc1cc(CO)c(C(=O)CBr)cc1Cl.Cl.Nc1nccc(Cl)n1.
What is the InChIKey of [2-[7-[4-(2-aminoethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-chloropyrimidin-2-amine;4-propylpiperidine;4-(4-propylpiperidin-1-yl)pyrimidin-2-amine;hydrochloride?
The InChIKey is LUPNJSMXZIIFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2.C21H26ClN5O2.C12H20N4.C10H10BrClO3.C8H17N.C4H4ClN3.ClH/c1-3-4-15-5-8-26(9-6-15)21-7-10-27-13-19(24-22(27)25-21)17-12-18(23)20(29-2)11-16(17)14-28;1-29-19-10-15(13-28)16(11-17(19)22)18-12-27-9-5-20(25-21(27)24-18)26-7-3-14(2-6-23)4-8-26;1-2-3-10-5-8-16(9-6-10)11-4-7-14-12(13)15-11;1-15-10-2-6(5-13)7(3-8(10)12)9(14)4-11;1-2-3-8-4-6-9-7-5-8;5-3-1-2-7-4(6)8-3;/h7,10-13,15,28H,3-6,8-9,14H2,1-2H3;5,9-12,14,28H,2-4,6-8,13,23H2,1H3;4,7,10H,2-3,5-6,8-9H2,1H3,(H2,13,14,15);2-3,13H,4-5H2,1H3;8-9H,2-7H2,1H3;1-2H,(H2,6,7,8);1H.
What are the key properties of [2-[7-[4-(2-aminoethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-chloropyrimidin-2-amine;4-propylpiperidine;4-(4-propylpiperidin-1-yl)pyrimidin-2-amine;hydrochloride?
[2-[7-[4-(2-aminoethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-chloropyrimidin-2-amine;4-propylpiperidine;4-(4-propylpiperidin-1-yl)pyrimidin-2-amine;hydrochloride has a molecular weight of 1637.97 g/mol, XLogP of 15.10, 21 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[7-[4-(2-aminoethyl)piperidin-1-yl]imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(4-propylpiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-chloropyrimidin-2-amine;4-propylpiperidine;4-(4-propylpiperidin-1-yl)pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 159817924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).