1-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione;hydrochloride

C22H24ClN5O3 — CID 176882992

IUPAC1-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione;hydrochloride
SMILESCOc1ccc(CN2C(=O)CN(c3cc(C4CC4)cn4cc(CN)nc34)C2=O)cc1.Cl
InChIInChI=1S/C22H23N5O3.ClH/c1-30-18-6-2-14(3-7-18)10-27-20(28)13-26(22(27)29)19-8-16(15-4-5-15)11-25-12-17(9-23)24-21(19)25;/h2-3,6-8,11-12,15H,4-5,9-10,13,23H2,1H3;1H
InChIKeyMFGZKYFRDGCJGV-UHFFFAOYSA-N
MW441.92 g/mol
LogP3.07
Rot. Bonds6

About 1-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione;hydrochloride

1-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione;hydrochloride (PubChem CID 176882992) has the molecular formula C22H24ClN5O3 and a molecular weight of 441.92 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione;hydrochloride
PubChem CID176882992
Molecular FormulaC22H24ClN5O3
Molecular Weight441.92 g/mol
Exact Mass441.16
IUPAC Name1-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione;hydrochloride
SMILESCOc1ccc(CN2C(=O)CN(c3cc(C4CC4)cn4cc(CN)nc34)C2=O)cc1.Cl
InChIInChI=1S/C22H23N5O3.ClH/c1-30-18-6-2-14(3-7-18)10-27-20(28)13-26(22(27)29)19-8-16(15-4-5-15)11-25-12-17(9-23)24-21(19)25;/h2-3,6-8,11-12,15H,4-5,9-10,13,23H2,1H3;1H
InChIKeyMFGZKYFRDGCJGV-UHFFFAOYSA-N
XLogP3.07
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1-amino-2-hydroxyethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165133453
1-[2-[(4-chloro-[1,3]oxazolo[5,4-c]pyridin-2-yl)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165133229
1-[6-cyclopropyl-2-[[5-(methoxymethyl)-2-methylsulfonylpyrimidin-4-yl]oxymethyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165131626
1-[6-cyclopropyl-2-[(4-methylpyrazol-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]pyrrolidin-2-one
CID 139498993
1-[4-[4-[4-(4-aminophenyl)piperidin-1-yl]piperidin-1-yl]-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione
CID 177363708
(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 15896261
(3R)-1-[(4-methoxyphenyl)methyl]-3-(4-phenylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione
CID 7358149
1-(2-bromo-4-pyridinyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione
CID 176890550
2-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione
CID 165132782
1-(4-bromophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione
CID 166113645
1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione
CID 91314471
trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165133320

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 1-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione;hydrochloride (CID 176882992) is 1-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 1-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 1-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione;hydrochloride is COc1ccc(CN2C(=O)CN(c3cc(C4CC4)cn4cc(CN)nc34)C2=O)cc1.Cl.
What is the InChIKey of 1-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione;hydrochloride?
The InChIKey is MFGZKYFRDGCJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3.ClH/c1-30-18-6-2-14(3-7-18)10-27-20(28)13-26(22(27)29)19-8-16(15-4-5-15)11-25-12-17(9-23)24-21(19)25;/h2-3,6-8,11-12,15H,4-5,9-10,13,23H2,1H3;1H.
What are the key properties of 1-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione;hydrochloride?
1-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione;hydrochloride has a molecular weight of 441.92 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 176882992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).