2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one

C22H26ClN5O2 — CID 143244524

IUPAC2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one
SMILESCOc1ncc(Cl)cc1-c1cccc(C2(C)N=C(N)N(CC3CCNCC3)C2=O)c1
InChIInChI=1S/C22H26ClN5O2/c1-22(20(29)28(21(24)27-22)13-14-6-8-25-9-7-14)16-5-3-4-15(10-16)18-11-17(23)12-26-19(18)30-2/h3-5,10-12,14,25H,6-9,13H2,1-2H3,(H2,24,27)
InChIKeyYJQLZTBOZJZWQX-UHFFFAOYSA-N
MW427.94 g/mol
LogP2.78
Rot. Bonds5

About 2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one

2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one (PubChem CID 143244524) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one
PubChem CID143244524
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC Name2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one
SMILESCOc1ncc(Cl)cc1-c1cccc(C2(C)N=C(N)N(CC3CCNCC3)C2=O)c1
InChIInChI=1S/C22H26ClN5O2/c1-22(20(29)28(21(24)27-22)13-14-6-8-25-9-7-14)16-5-3-4-15(10-16)18-11-17(23)12-26-19(18)30-2/h3-5,10-12,14,25H,6-9,13H2,1-2H3,(H2,24,27)
InChIKeyYJQLZTBOZJZWQX-UHFFFAOYSA-N
XLogP2.78
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4aS,10R,10aS)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one
CID 56947557
2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11516577
2-amino-4-(3-chloro-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11545958
2-Amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
CID 15951489
(4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 67236442
2-Amino-3-cyclohexyl-5-(4-methoxyphenyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 76332086
2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 71624470
2-Amino-5,5-bis(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)imidazol-4-one
CID 86274802
2-Amino-5,5-bis(4-methoxyphenyl)-3-(pyridin-3-ylmethyl)imidazol-4-one
CID 117600110
(5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one
CID 49867832
US10710967, Example 35
CID 155883259
(5S)-2-amino-5-(4-methoxy-3-methylphenyl)-5-[3-(2-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 52945654

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one?
The IUPAC name of 2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one (CID 143244524) is 2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one is COc1ncc(Cl)cc1-c1cccc(C2(C)N=C(N)N(CC3CCNCC3)C2=O)c1.
What is the InChIKey of 2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one?
The InChIKey is YJQLZTBOZJZWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-22(20(29)28(21(24)27-22)13-14-6-8-25-9-7-14)16-5-3-4-15(10-16)18-11-17(23)12-26-19(18)30-2/h3-5,10-12,14,25H,6-9,13H2,1-2H3,(H2,24,27).
What are the key properties of 2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one?
2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one has a molecular weight of 427.94 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one is sourced from PubChem (CID 143244524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).